# Number of Dimensions
166
# Number of Examples
92
# Number of Instances of molecule (0)
5
10.597260
9.096312
9.686261
10.688970
12.522619
9.078566
11.433348
9.321319
10.512459
8.869815
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10.045784
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11.185854
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8.990650
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12.387561
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10.899211
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12.662689
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10.476516
9.991272
8.779199
11.369488
6.614566
5.081561
4.780282
8.444578
6.724921
4.639653
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5.310450
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6.173513
5.695593
7.030473
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8.354854
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4.656499
4.812876
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6.877392
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6.767159
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6.455138
6.811350
4.710456
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6.695135
6.721625
5.522004
6.237846
6.322932
4.634281
8.194205
6.109058
8.266472
8.603641
7.037187
5.266137
8.518921
8.451903
5.285791
5.595004
6.427427
8.626347
7.039384
5.875652
6.681585
5.119282
4.730354
6.073412
8.229850
5.723304
6.209647
5.902997
5.002701
4.997085
5.323878
8.040147
5.314234
7.318201
5.861003
6.358333
6.818308
5.395901
6.736518
5.562532
5.895306
7.620823
6.298273
8.597171
6.342708
5.624058
5.622349
6.201834
6.245903
7.424650
4.677129
4.991714
7.903180
7.534639
7.228843
8.434935
5.680944
7.403531
8.364254
7.103961
4.673711
5.571444
8.506104
8.575930
5.042619
6.908765
7.795511
7.355678
4.910291
6.317072
4.716071
5.197897
4.684210
8.265618
4.836192
6.202078
5.684851
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7.542329
5.055803
5.954390
6.570009
4.640385
4.802622
6.119312
6.735786
6.699042
6.507141
8.182363
4.986221
7.009964
7.193686
8.120350
5.186422
7.040605
8.434324
5.160787
7.543306
5.253929
7.959334
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5.431425
8.548463
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7.902081
6.271050
4.799814
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5.133656
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8.582980
7.764840
7.206961
7.809397
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6.313013
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8.084185
5.029283
5.538331
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5.834971
7.626530
8.026933
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8.019486
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6.224754
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8.770486
7.699408
7.882275
8.022782
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7.502380
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8.086138
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6.028947
5.448119
8.680029
6.827677
5.398190
8.032060
5.083972
6.437529
8.579073
6.913373
8.405972
6.142842
6.461699
8.795511
5.867809
6.081439
7.703070
6.279443
8.304163
7.568300
5.720588
5.421873
6.244652
5.447508
7.209037
7.348201
5.959609
8.185263
8.556124
6.794595
6.839518
7.579897
8.531465
8.456023
7.486633
5.965224
7.624088
8.011673
5.892224
6.779824
6.402982
6.708167
5.074816
8.379360
5.277093
6.369533
5.554079
6.965499
6.026994
5.713752
8.036576
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5.486694
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7.685369
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5.748421
6.819376
7.353450
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7.094287
7.150807
8.706030
5.226310
7.843822
5.723518
7.426817
7.585635
7.907422
6.618320
8.414884
7.105884
5.312494
5.108264
6.406400
5.807627
7.222709
8.854595
6.636265
8.189535
8.191733
7.778756
8.196371
5.595706
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6.521882
5.262200
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7.122974
6.863201
6.061419
6.342555
7.188162
5.475951
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7.499695
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5.031724
8.090777
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6.371288
5.659108
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7.078219
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7.305399
5.647755
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5.415815
6.021790
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6.129460
7.961058
8.734519
8.553484
6.598102
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6.055116
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8.797021
5.540330
6.968108
7.436018
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7.062227
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6.041932
8.373791
7.097629
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6.643391
7.524033
5.852229
8.771142
8.693991
5.938658
7.913327
7.489731
5.457198
7.875973
7.244118
8.786401
8.599994
7.541612
7.799799
8.138310
6.461135
8.664937
8.526383
6.951750
5.750053
5.909848
8.477798
8.532731
5.550951
7.498154
7.925047
5.205237
6.504959
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7.331767
8.953764
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5.589770
8.072634
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5.433393
5.433760
7.808100
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7.041597
5.530198
5.854305
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5.427412
7.582629
8.221442
5.327799
8.078372
6.734214
5.933287
8.793481
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6.498123
5.146031
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6.454909
8.878811
6.543046
6.544633
7.428083
7.546495
5.692557
7.121189
8.718528
6.942961
7.740349
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7.503403
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6.508988
6.848354
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5.773614
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5.837031
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6.102908
5.271706
8.343089
5.540269
7.977844
7.097079
6.227546
8.550981
7.198035
5.774407
7.775689
6.540178
7.569140
8.995209
7.137730
9.193335
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7.051057
6.069338
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8.106265
7.555834
7.684622
6.013550
5.594836
5.312967
5.389264
7.036287
6.465346
7.708304
7.868954
8.311960
8.739830
6.000000
7.005768
5.394391
8.296335
8.883267
5.601428
5.791986
8.446608
8.701743
7.778375
7.018830
6.880642
8.684408
8.936857
6.108646
7.854183
5.579089
8.140568
5.963378
5.492172
8.060976
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5.913816
6.085696
5.287332
7.583544
5.865230
7.255409
5.979125
5.261208
7.404218
5.857173
6.396985
7.641408
5.241920
8.505325
7.594287
8.189398
8.367748
8.587481
8.315867
6.374889
8.288644
7.647023
5.922239
5.566759
5.730338
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7.710990
8.356029
9.174047
5.514267
9.011933
6.184332
8.603229
5.269143
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6.184942
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7.811090
6.427625
5.952635
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6.310190
8.709311
# Label of molecule (0)
1.000000
# Number of Instances of molecule (1)
5
10.593658
9.011988
9.640865
10.611933
12.329690
8.929551
11.209327
9.298418
10.386547
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8.961776
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7.663274
5.491211
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6.589022
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6.059709
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6.730262
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8.892636
6.782952
7.971709
7.244758
7.294443
7.109378
8.451094
6.188940
6.699332
5.711875
7.981597
8.326212
7.564470
7.366955
8.575121
5.587237
8.540941
7.666890
6.816034
7.118778
6.986450
8.207190
7.495132
6.667837
8.314859
6.890133
9.017884
5.274361
7.556169
7.221809
6.959838
8.140904
8.502243
8.475143
8.147130
8.557909
7.813990
8.595874
5.633503
5.758995
5.464187
5.725547
6.952757
5.580889
8.891537
6.216773
6.017792
6.801874
8.239662
9.015198
7.044557
6.036714
6.058687
6.284036
6.873531
8.060091
6.841182
6.146580
8.064974
6.434675
5.770226
5.418897
9.142766
5.319895
6.052583
6.211524
8.361126
7.334361
8.213172
8.272866
7.370617
6.348003
8.725517
6.949217
7.156499
6.079928
7.352916
8.637745
6.626942
7.374889
8.576098
5.606159
8.223182
9.034730
8.480880
6.055025
8.928892
9.080020
8.482589
5.296091
9.053163
7.315317
7.260872
5.924894
5.161443
8.075716
8.281289
8.858333
7.530534
8.026276
8.403394
7.794855
5.966430
8.120182
6.006104
8.896817
8.979095
8.976775
5.237770
5.363994
8.877529
5.146458
5.358867
8.904874
7.627125
6.335459
7.590136
9.004120
5.409772
8.013733
7.583056
5.427229
7.745903
7.024201
7.038850
7.903500
7.202795
7.059236
8.849940
7.863338
7.064974
5.878170
6.140873
5.105930
8.338450
6.143559
5.582141
6.272103
7.467940
5.748039
7.352947
5.994751
6.138554
5.509507
6.126102
7.606738
8.539262
6.108524
7.453536
6.276498
7.461715
8.141789
7.923032
7.448897
6.610614
7.168615
5.464827
7.465987
8.499710
5.625355
8.181219
5.242531
7.308390
5.480331
8.074526
7.870663
8.074892
7.506882
8.048158
7.029572
7.600024
5.048433
8.557451
5.074679
6.436781
6.151738
6.281991
7.682669
7.341350
7.939879
7.198157
5.923704
5.559191
5.105075
6.423841
8.641072
6.323130
8.392529
5.212134
8.008606
6.936674
6.950713
5.468978
7.143712
6.818262
6.425428
8.168035
8.650349
6.881863
8.669881
8.039613
8.964934
5.628040
8.947600
6.908963
5.384259
5.321879
8.501663
6.055910
8.647176
7.630055
6.367443
7.975402
7.944761
8.095889
8.301584
7.908628
5.237159
8.823939
8.702719
5.525987
5.748772
6.751122
7.401166
5.130222
5.518906
8.878750
5.188818
6.760277
6.881252
7.840388
7.967711
8.567461
6.748924
5.180273
7.389325
6.839991
8.578692
7.718680
7.862972
6.052492
6.889920
8.377148
7.804498
5.311258
7.213660
8.840297
9.003265
5.575671
6.345714
7.428144
5.980956
8.026307
7.779839
5.555162
5.217994
7.956969
5.195410
8.149113
6.121464
6.565203
8.875454
7.406537
5.610218
9.017182
7.927793
7.071535
7.101321
7.840114
5.327708
7.164190
7.588763
7.842433
6.452132
5.020569
5.392651
6.849116
8.271035
8.911557
5.863247
6.739616
5.897427
8.621509
7.982330
6.249489
8.430952
7.029176
7.788354
6.576525
5.361766
8.585009
7.732078
7.324473
7.595599
5.062807
8.835505
8.156529
6.967040
8.959777
8.531175
5.534623
8.123203
6.919309
5.056948
7.921171
8.647267
7.553484
7.279427
6.814570
5.300729
8.037873
6.821772
6.997436
6.257546
5.855190
7.372692
5.369823
7.204352
8.062654
8.048738
5.743980
7.184210
8.456954
7.686666
6.974120
6.057344
5.013733
6.941282
7.798242
7.453383
7.975372
7.061525
5.765221
5.091128
6.960448
6.222388
5.623371
8.340983
7.474258
8.286050
6.543443
8.903378
5.191229
8.867855
7.555193
8.481368
8.385907
5.581988
8.567064
5.317820
8.887509
5.341502
6.348735
7.477432
7.933134
7.588885
6.849483
6.743889
5.294015
8.329752
5.225654
5.009949
6.050996
7.847926
6.956908
7.035524
5.392041
6.974609
5.420484
7.446303
5.809290
6.786615
5.304270
5.851161
7.069826
8.609912
7.228156
5.950407
7.333628
5.202948
6.953001
8.512741
7.795801
7.994293
8.550096
6.092135
7.227424
5.250069
8.906674
5.364818
6.789422
8.046297
8.941832
8.956114
7.494522
6.920408
8.909116
6.634877
8.693777
8.078402
7.159551
7.751610
5.960173
8.030183
7.740745
8.791681
8.747002
7.531388
8.206946
7.922025
8.193396
7.703391
5.015076
8.405072
7.454482
5.208930
7.882107
6.753777
8.928892
5.356883
8.476852
7.505387
6.760369
6.012177
6.824580
8.486007
6.988281
7.184454
8.796930
6.442976
7.719871
7.173223
# Label of molecule (1)
0.858054
# Number of Instances of molecule (2)
3
10.420376
8.955718
9.511783
10.707481
12.337236
8.924899
11.298049
9.253665
10.550008
8.679110
8.648276
9.969363
9.461387
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12.756993
10.685011
11.582171
11.156125
11.490769
11.699705
11.872944
8.974822
10.867054
9.736469
9.817227
12.452221
10.545394
10.112560
10.938978
11.562361
12.399447
12.239916
12.144091
11.377682
11.453407
10.918472
10.096077
9.757848
9.214397
12.021183
10.186613
10.444737
12.643133
8.901287
9.071844
12.299370
11.371847
10.141188
11.768408
11.473163
12.549615
8.499260
9.518543
11.712340
9.355022
10.866285
8.551434
12.555593
9.705107
8.556709
10.249317
12.447094
10.698167
8.770690
10.690382
9.269761
10.339169
9.146937
10.321812
9.995914
12.048464
9.986435
9.877628
9.946821
8.326363
8.934956
10.677118
11.347933
8.573146
10.088995
11.712207
9.381353
9.754105
9.202236
9.650659
9.595766
12.189353
8.320550
11.091611
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11.080120
11.617527
12.476985
9.156260
11.826247
12.433810
11.760987
10.128678
11.213314
11.726694
8.921469
9.469401
8.938872
11.988986
11.428881
9.095573
8.725945
9.464245
11.841200
9.400062
10.509737
11.390994
8.833786
12.255004
9.062207
10.282818
11.785030
11.858649
12.313099
12.631808
9.951100
10.045442
8.548045
10.163304
9.257776
12.376455
11.376808
10.812001
9.060306
10.377256
11.618715
8.413247
10.290165
9.064064
9.048474
12.217129
10.729428
12.401674
10.114348
11.438542
11.798514
10.105047
10.397341
9.727580
6.924149
10.448020
9.486510
8.319412
9.370893
8.564439
7.417499
9.675655
8.684381
11.337842
10.753749
8.535810
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10.143602
8.082318
8.762146
5.773042
7.131114
8.196866
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8.036210
7.544862
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6.182516
8.284509
7.199271
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6.326930
6.467681
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7.277154
6.449614
8.475677
8.900372
7.150929
8.224570
9.349239
7.609684
6.043229
5.988174
7.849071
6.736488
6.622715
6.934004
5.722663
8.163045
5.775765
8.781594
7.528016
8.508148
9.290399
8.485199
9.109607
9.269890
6.592929
8.903302
7.816599
8.865703
8.416593
8.803812
8.338832
8.946638
8.272546
7.580508
8.034013
9.359615
6.602817
6.055437
7.622257
8.133137
6.486236
6.741493
7.123951
8.862163
7.774850
6.942305
8.913068
7.864696
8.534639
8.061846
7.764107
7.489196
8.666234
6.500153
5.765389
7.943312
8.580538
5.511231
7.975173
8.022172
5.802988
5.395016
8.694189
7.110157
6.384182
7.401425
8.230918
6.829997
5.988296
8.720313
6.033830
8.717139
5.537599
7.931715
6.066424
6.290674
8.286218
6.293115
8.298303
7.898999
7.198294
8.236656
6.188986
8.713477
5.506470
6.452177
8.039750
8.245079
7.324396
6.932661
6.086077
7.760689
9.189077
7.353694
7.208670
7.971145
5.408322
8.165365
9.135609
9.369381
6.087786
5.768685
8.012528
7.591006
8.712012
7.155324
9.214713
6.173605
6.155782
7.379940
7.275811
7.089282
8.000443
9.246574
6.809610
5.426023
6.028947
6.578524
6.298730
8.592257
8.776711
6.451567
8.624973
6.419706
8.010819
7.760933
8.217246
8.540254
6.015519
7.500061
6.692541
7.410215
6.556429
8.125935
6.862102
7.359432
6.398953
5.384152
8.981674
6.037248
6.257591
5.971328
7.117969
8.633763
6.049211
6.406766
5.507691
9.247063
7.326350
6.491363
8.783547
7.776681
7.764473
8.727149
6.573840
9.066591
5.923917
6.197119
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6.402448
8.715018
5.754112
5.918546
8.085360
5.755089
6.995605
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5.649373
5.777062
8.334635
7.204962
6.966430
8.099521
9.322336
6.401959
6.034150
6.165502
9.360546
7.172124
5.604205
8.959410
7.984039
5.787439
8.257241
5.724326
8.076815
7.113651
8.425703
6.714835
7.032105
9.262886
6.909299
7.595843
5.591388
7.333995
5.757408
5.866298
7.238289
7.613300
7.393200
7.681417
7.022950
5.611286
7.855495
5.446852
6.689810
7.309580
8.032868
8.563768
6.986084
6.994995
8.764336
7.694357
6.024384
9.054018
5.683065
6.928709
6.575304
7.102420
5.676473
8.222938
9.164373
7.827784
8.839045
6.486801
5.849208
8.915586
5.791711
7.694967
7.551042
6.437849
6.244972
8.395428
7.815699
9.077944
8.676687
8.993225
7.879421
6.563829
7.004395
7.180670
5.915006
5.691488
8.123814
7.892727
7.331919
9.304636
8.189123
8.159215
7.005615
7.613910
5.511185
9.232124
8.313395
9.225410
5.948088
6.359722
5.847377
9.254952
6.661733
8.585986
8.685110
5.904386
6.117771
6.945799
7.086550
6.873165
6.202490
7.436659
7.499283
8.980529
6.330912
7.136601
6.739982
8.373821
7.423963
5.846156
6.233497
8.698782
5.625813
7.629658
9.179510
8.604175
5.639851
8.628101
5.524857
7.958525
5.556108
5.522294
7.616108
6.151830
7.046144
9.018860
5.404859
7.859645
6.799921
8.733695
8.084994
5.640950
7.080325
5.850429
9.032899
6.749626
9.269234
7.926420
8.928892
5.529008
8.281045
6.222022
5.931364
8.770318
7.719016
5.928922
7.783349
7.404065
5.647420
5.671590
6.720084
5.904996
# Label of molecule (2)
0.811797
# Number of Instances of molecule (3)
4
10.560322
9.011657
9.720946
10.447496
12.592693
8.961497
11.498202
9.131070
10.584353
8.763038
8.732489
9.853228
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12.582480
10.652170
11.485701
11.196338
11.742824
11.763530
11.959373
8.866173
11.116541
9.559099
9.825565
12.327629
10.489980
10.067840
10.846975
11.580546
12.406325
12.121355
12.042732
11.299261
11.514510
10.679844
9.953769
9.683081
9.119500
11.959240
10.067964
10.331427
12.443943
8.748382
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12.564563
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11.664227
12.521727
8.264742
9.757678
11.520879
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12.319649
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8.386631
10.160660
12.344637
10.925967
8.797528
10.805483
9.297255
10.542913
9.400815
10.477726
10.165293
12.117557
9.999772
9.866716
9.851087
8.305350
8.832753
10.445650
11.397207
8.777723
10.159249
11.493156
9.244815
9.848198
9.290962
9.586237
9.444779
12.166921
8.352537
11.018925
9.886459
11.102587
11.549043
12.291525
9.302686
11.862737
12.670899
11.677106
10.184315
11.095970
11.930662
8.927828
9.359909
8.839407
12.096332
11.551963
9.212622
8.973923
9.602905
11.625530
9.318073
10.644241
11.242817
9.017709
12.448433
9.418936
10.147400
11.308419
11.741065
12.321635
12.237996
9.927916
10.345620
8.577643
10.056765
9.517583
12.334808
11.347772
10.865538
9.428716
10.307395
11.680383
8.347980
10.221378
9.040095
9.549387
12.609725
10.988014
12.854762
9.999909
11.512516
11.233611
9.874502
10.061850
10.584736
8.584481
10.755312
9.929486
9.068242
11.312216
11.277340
10.264009
11.440177
8.616972
9.959638
8.895753
8.834351
10.745734
11.007194
11.434808
7.921644
5.804896
8.917199
8.145350
8.396348
7.349611
7.051571
7.291360
6.582965
6.397168
7.078585
7.018525
4.711325
8.491348
6.482009
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8.210578
7.281106
5.747002
5.928159
6.279366
6.693197
8.466079
5.333171
7.492660
7.719596
6.701743
6.816126
8.690695
7.692862
7.200781
7.311258
6.236641
5.584277
6.163396
6.432569
5.516160
7.700552
7.441755
6.385327
6.553911
6.154241
5.043611
5.088046
5.622730
8.482559
4.815210
7.882076
6.719565
6.788537
6.179266
5.199744
6.783410
4.782861
6.802454
5.571093
8.531510
7.097262
7.067110
7.338969
4.785913
5.246132
5.223792
6.461745
8.169927
8.614032
8.097537
7.777093
6.042909
6.838221
8.223762
5.100009
6.556719
7.967772
8.289560
5.533616
7.700674
6.768639
7.754509
7.365215
7.215308
7.554186
8.525163
6.922575
5.248573
7.912595
6.560991
7.767327
5.628712
7.708487
6.283151
7.598621
7.629261
5.732719
8.664937
8.243171
6.100772
8.376110
5.874325
8.105350
7.846675
8.700827
5.349162
6.454054
6.113712
8.285653
8.174932
6.920743
5.076571
8.219855
8.642476
5.582202
8.188726
5.620045
7.861690
7.005463
6.275338
6.045839
8.303232
5.627613
7.244728
8.188971
6.146062
7.848262
7.289651
7.209937
8.304331
8.205206
5.458174
5.099887
7.008515
7.013886
5.465377
6.439528
6.817347
6.841151
6.622272
7.931394
4.932890
7.189795
7.757683
8.081301
7.697012
6.770470
6.006043
5.403119
8.140996
4.732566
6.339427
7.521836
7.465682
6.233345
7.714225
7.549425
5.326334
7.715567
5.711722
6.110538
5.797174
7.272561
5.545946
7.390240
7.889767
7.474593
5.312296
7.581042
7.502060
8.029664
7.355083
8.103153
7.672109
7.656240
5.625538
8.912717
7.279244
8.065889
6.560717
7.134098
6.161779
7.424635
6.730399
6.411054
7.617634
5.546159
7.740806
6.574145
5.085208
5.612568
6.044465
8.115818
7.913175
8.596789
6.153111
8.204688
6.046052
6.396893
5.522843
5.533586
5.829859
6.744682
6.746391
5.380871
8.807855
8.260598
7.922452
6.255043
7.383374
6.034211
8.082125
7.502640
5.227058
6.102206
6.542894
7.250679
8.299051
5.198981
9.068972
6.060701
6.363567
6.157750
7.710410
5.668477
6.872372
5.333018
7.197211
6.184484
5.088504
6.422651
8.762932
7.130802
8.328349
9.063234
8.273049
7.688314
6.194861
6.573168
7.533403
7.530473
8.680044
5.220832
7.652669
7.618000
8.006317
7.388989
7.335154
8.328715
6.088656
7.014100
6.977355
8.298929
7.486404
7.674154
5.445692
5.351085
7.722983
7.699179
6.407270
6.881527
8.848506
6.680105
5.091433
7.085025
8.118137
5.752342
8.355937
6.389203
7.664510
8.026460
6.931822
6.476363
7.035463
7.542558
8.724723
8.264626
6.475021
5.123661
8.043672
6.226234
6.821711
7.502152
7.637043
6.416547
5.898099
8.094455
8.405744
5.588275
5.268563
5.799463
7.672933
6.767388
7.238716
8.195654
8.882931
8.665029
7.971892
7.510697
7.603595
8.299295
6.598315
7.740562
8.710807
6.204871
8.191015
7.291452
7.625202
5.601337
8.483993
7.520341
6.480026
6.899472
6.208045
7.548906
6.093539
8.916746
6.918149
7.726035
8.620594
6.179846
8.188086
6.113559
7.758873
5.688742
6.047639
6.370525
5.385876
8.514145
8.537217
5.411145
7.499466
7.608844
8.253151
7.210395
6.337931
7.203314
7.762780
7.134465
5.556413
7.162664
5.758690
6.047380
6.200949
8.783303
6.636265
8.045244
8.108966
5.619877
9.363887
8.669042
7.403134
7.864086
8.672948
7.235405
7.306452
7.349544
7.092944
9.019272
8.704443
7.270196
6.769936
6.251488
6.129048
6.674474
8.524262
7.702338
7.610172
6.481719
8.963607
8.225669
6.267846
7.397885
6.525544
7.639958
5.523804
8.104816
9.324824
6.318873
5.803476
6.097308
7.679388
6.868938
6.606235
5.544191
8.193197
9.267815
7.816721
6.547395
8.266564
8.837626
8.134846
8.175008
7.912183
8.431364
8.496673
7.641545
5.750984
6.202658
6.362941
8.013993
8.062700
6.338282
8.750832
8.813456
5.764657
6.126240
5.879894
7.892285
8.197958
6.733680
9.314447
8.959090
8.590793
9.072863
8.469329
7.126637
6.077654
6.125507
9.359981
6.858928
7.148854
9.105945
5.468993
8.691626
7.402768
6.831950
8.605686
7.099780
8.479461
7.684881
5.630741
7.891308
7.048875
7.528016
8.926252
7.496277
6.727577
8.962386
6.479156
6.531404
5.801767
7.292779
7.460875
8.012650
7.628117
8.580416
9.170888
8.590793
6.591098
7.155568
9.223991
9.185415
8.489105
7.967605
8.854595
9.393429
6.224998
9.143910
7.213065
8.044511
5.677129
6.136372
8.529756
6.280786
6.624302
8.828959
6.019547
7.535340
5.601077
8.979354
8.406583
6.782998
5.557009
9.373898
8.937361
7.440733
7.196707
8.066362
6.764809
6.291040
6.872967
9.079577
8.571993
8.803201
7.911206
8.941389
8.313807
7.228690
6.237327
6.432279
8.950911
7.845531
9.186880
8.919416
8.050981
7.724311
8.366298
6.650060
7.131764
7.394467
5.446409
8.383267
6.621982
7.782785
7.759957
5.729743
6.313013
# Label of molecule (3)
0.859969
# Number of Instances of molecule (4)
3
10.376491
8.912707
9.496398
10.561208
12.340120
9.008923
11.306195
9.137424
10.405793
8.790150
8.703563
9.836023
9.551438
9.960572
12.740909
10.503152
11.657955
10.960109
11.692734
11.576459
11.896076
8.882492
10.944776
9.685676
9.888306
12.153652
10.687276
9.936185
10.876130
11.663059
12.315303
11.989614
12.177310
11.367740
11.573806
10.819971
10.092837
9.705717
9.242226
12.005238
9.967920
10.250613
12.729520
8.829111
9.163826
12.304839
11.379485
10.023292
11.786495
11.559586
12.328003
8.442454
9.521870
11.514275
9.373950
10.718089
8.321012
12.554908
9.532795
8.389379
10.275607
12.110494
10.705231
8.887270
10.911681
9.464985
10.480884
9.391223
10.207507
10.011126
12.222265
10.060503
9.823594
9.992375
8.320462
8.812266
10.397063
11.464330
8.694706
10.163013
11.579761
9.181269
9.755280
9.368785
9.540231
9.685315
12.064839
8.532678
11.014853
9.942906
11.090783
11.550119
12.543978
9.258060
11.940829
12.517769
11.570579
10.132665
11.249290
11.918807
8.928357
9.377737
8.836840
11.972715
11.429057
9.267895
8.966265
9.446129
11.787585
9.305925
10.700368
11.463440
9.234876
12.564815
9.369231
10.403014
11.191989
11.642250
11.968974
12.383602
9.978761
10.154250
9.020520
10.269291
9.483024
12.646748
11.236746
10.923907
9.292711
9.960577
11.931133
8.799943
10.595507
8.908321
9.150389
12.101340
10.689047
12.296535
10.456328
11.441611
11.724962
9.805453
10.042275
10.789214
8.423857
11.052443
9.941695
9.016215
11.408989
11.155841
8.792068
11.483491
6.543547
10.548711
9.664098
9.480332
9.967265
8.171962
9.237233
7.821036
8.306440
6.398307
10.354385
6.019041
8.581235
7.042391
7.889767
6.159001
5.389203
5.351482
8.509659
6.379101
8.008667
5.882504
5.768975
5.888119
6.647786
8.433363
7.844356
7.762688
6.390454
8.485855
7.736686
8.109867
6.957976
6.819544
8.349742
7.779412
8.611591
9.063997
8.934111
9.099887
5.608692
8.711692
8.774438
8.012574
6.089663
6.967498
5.993835
5.979186
7.267678
8.808618
7.350444
8.038820
8.800562
8.630634
6.900235
7.386212
5.214881
8.854030
5.403485
6.850795
8.262459
8.867824
8.347667
5.647633
8.078005
7.682485
6.461867
5.778008
8.020508
5.670705
8.600238
6.451735
6.065859
8.767113
6.865566
8.909696
5.631153
8.505387
7.851558
8.018921
8.703391
5.265664
5.876156
9.015900
6.146550
8.108524
8.083499
5.774224
6.065615
6.568438
7.286111
6.969817
7.098483
7.785028
8.426283
6.519730
5.512619
6.343822
8.527970
8.669820
6.983245
8.204230
8.017090
8.105350
7.923338
8.086550
5.283364
7.460433
5.245888
5.697195
8.359996
8.601093
7.429792
8.163457
7.593738
8.055544
5.764702
8.053835
7.184912
8.969512
6.652181
8.360851
7.467757
7.958861
7.835200
7.818720
7.807733
5.236610
7.432966
5.931578
5.992248
8.387219
8.655049
9.089267
7.988403
6.164983
9.070711
9.141758
7.941282
6.691122
5.307657
7.811762
8.291757
8.424085
6.055239
6.316965
7.884762
6.277657
8.247688
5.578539
7.945799
5.263466
5.301553
8.390393
7.798822
8.031739
6.284127
8.924833
8.201788
8.684225
6.884487
8.948759
6.174261
7.238014
7.066012
6.125553
7.192846
9.110385
8.272713
5.779107
6.627033
8.003296
9.065584
5.492233
6.294259
8.561296
8.063234
7.916990
6.006287
7.177709
8.200766
7.542177
5.434568
8.409757
6.223411
7.995560
9.350459
8.653050
9.411985
8.341639
6.006851
5.491333
8.486908
6.123066
7.340144
6.706458
6.402615
6.014176
9.387448
7.439268
9.222282
7.391415
6.861858
6.976119
7.108570
6.679235
6.030534
8.747169
9.308710
8.843974
6.772378
8.909528
7.004074
8.410367
6.691321
8.891217
7.905347
6.377468
6.158345
9.272332
8.461272
7.407529
7.159108
8.375820
7.562197
7.663396
8.820658
6.944990
7.609561
5.669317
8.492645
6.281396
6.828166
6.570223
7.258965
9.219596
8.695288
8.164388
8.753761
7.311213
8.361538
7.084765
6.156392
7.596744
5.940443
5.503418
6.242332
6.337184
6.538484
8.734718
9.363155
7.082202
8.903180
6.111347
6.230369
6.448271
6.563143
5.509766
6.381252
8.984237
7.335749
5.898572
7.196341
6.496124
7.076220
6.284448
6.349269
7.209891
7.544984
7.433409
6.559603
6.142842
6.265404
8.738746
7.526307
6.062639
8.251183
8.613742
5.914930
8.407193
7.473571
6.781167
6.276147
7.538759
7.947584
8.838847
7.766793
7.711737
8.309046
7.470153
5.552248
8.123859
7.759835
8.681494
7.763375
7.429868
9.254753
5.435423
6.881756
9.090564
5.805307
7.059374
6.431547
6.932539
5.776986
6.800943
5.849742
8.294885
7.052171
7.907788
8.411222
6.135029
7.936110
6.605869
7.084033
5.473022
8.679540
8.350551
9.188955
7.544130
7.494324
7.726753
6.738929
9.038926
8.935774
8.372402
9.333247
7.804392
8.526460
9.299677
6.480377
8.380093
7.498718
5.990738
8.228111
6.745888
5.528199
8.641453
6.969771
7.655339
9.335078
5.927870
9.308344
5.930311
9.026719
8.672460
# Label of molecule (4)
0.824200
# Number of Instances of molecule (5)
5
10.643787
8.923226
9.512983
10.663716
12.481164
8.875112
11.482633
9.145541
10.407867
8.760858
8.734107
9.926890
9.608993
10.005060
12.538124
10.680671
11.615000
10.996185
11.750947
11.638798
11.828632
8.903192
11.050987
9.594123
9.914855
12.150682
10.686280
9.993675
10.892021
11.705989
12.309386
11.955685
12.138834
11.361685
11.434816
10.740881
9.940000
9.835619
9.248396
11.921273
10.208474
10.214434
12.638816
8.877062
9.131627
12.448085
11.441438
10.110532
11.688327
11.424031
12.366867
8.353636
9.533793
11.593876
9.415682
10.988560
8.521382
12.326995
9.743069
8.407799
10.053796
12.422329
10.638796
8.731241
10.648378
9.308197
10.478916
9.339153
10.327427
10.180102
12.240339
10.268138
9.929596
9.843572
8.436403
9.008702
10.699196
11.352705
8.737333
10.160033
11.804284
9.220288
9.895492
9.315918
9.654137
9.497813
12.220785
8.428445
11.122930
10.014486
11.147370
11.330732
12.282581
9.406466
11.834091
12.481440
11.754718
10.045623
11.318710
11.757278
9.012177
9.410880
8.796813
12.023172
11.472370
9.189818
8.803462
9.545126
11.694206
9.123573
10.835600
11.467012
9.158019
12.702687
9.331319
10.164380
11.504566
11.918520
12.080167
12.627984
9.663821
10.156456
8.665871
9.921469
9.197854
12.557103
10.871743
10.623769
9.392280
10.490142
11.626335
8.666517
10.504109
9.025323
9.181093
12.394725
10.628733
12.559568
10.085657
11.750031
11.674365
9.703125
10.321984
10.507006
8.598300
10.985293
9.535100
8.856751
11.749656
11.188723
9.870418
11.051849
8.520375
10.310448
8.536796
11.626308
9.742346
10.559352
9.912699
9.281729
7.121928
5.899077
9.300461
6.905908
8.779596
6.360518
8.438093
5.630757
7.719687
8.249123
5.935698
5.406629
7.741539
7.010804
9.090579
5.489761
5.781762
8.448958
6.754692
5.608295
8.801630
7.653279
8.643910
7.426344
8.025483
6.389935
9.128056
8.960692
6.697195
5.687765
5.294321
6.804010
6.545335
5.914945
7.660848
9.026246
6.336100
8.224464
7.911466
7.630818
7.886563
5.240852
6.030305
5.441420
6.912900
6.864803
5.209845
6.292886
8.091769
9.068972
8.906858
7.401074
5.705222
7.561724
8.421613
6.789117
5.248299
8.193335
7.376537
8.642079
7.371410
7.978240
7.467360
7.465896
5.534562
6.610889
5.862941
5.928129
6.747002
6.347453
8.629017
7.250923
6.767510
8.130833
6.548997
9.034791
9.141606
5.831568
5.720481
7.387646
7.448683
6.483200
7.298288
6.232337
8.135716
6.381512
8.761345
8.670156
5.311655
6.929258
9.078127
5.271859
8.878048
8.095920
6.146397
8.176855
5.369274
7.370190
8.880245
5.868313
8.881588
6.080599
8.319926
7.505692
5.459365
6.956725
6.143101
7.685385
8.321146
8.808832
8.945799
8.507431
7.292917
6.198523
6.674245
5.820093
5.830348
7.978973
7.579791
8.521104
9.000122
6.573534
8.071383
5.786767
7.797815
7.875576
5.842189
7.107730
7.177068
5.637104
6.644826
6.001862
7.164373
6.227577
9.089114
8.284768
8.433943
7.632038
5.839015
7.767541
7.720176
6.568529
5.583514
6.260659
6.440107
5.596942
6.154576
8.757073
5.901395
6.095126
7.169256
6.669362
8.472396
6.976745
8.570299
7.998383
6.086825
7.027284
7.440504
7.304270
7.461135
6.731254
7.464675
6.359050
5.395398
7.467116
5.415540
6.352824
7.537553
7.944670
9.038209
6.530076
6.719443
6.142888
7.092380
5.947203
7.246681
8.522965
8.848170
8.358409
6.208563
8.329234
7.274880
7.876461
9.175817
8.605121
7.088473
7.148045
8.214118
8.699606
6.111148
7.858638
6.034364
5.857234
8.761498
8.364879
8.166143
7.361553
6.004212
5.569506
5.528733
8.109256
7.137791
6.913053
7.777581
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7.673818
5.774468
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6.716468
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7.701361
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6.783486
7.212455
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7.254326
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8.919294
8.135945
7.886425
6.773843
8.207602
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6.995041
5.061144
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7.839671
7.374569
8.475677
8.610569
8.427946
6.521393
# Label of molecule (5)
0.866121
# Number of Instances of molecule (6)
5
10.590965
9.021705
9.680251
10.724315
12.535042
8.931267
11.182613
9.181210
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7.810327
6.134983
7.872707
7.914823
5.405835
6.724723
6.541246
5.584796
5.783654
7.886013
8.180578
8.674245
6.196020
5.339183
8.792901
6.023408
8.030183
8.783868
7.975494
5.185247
7.413221
6.089694
5.193060
8.427168
8.622242
5.202216
6.543443
8.379437
7.172979
7.131718
7.889065
7.710471
7.464370
5.403394
6.232398
5.197089
5.852016
5.345286
5.206977
8.570727
8.026765
6.584460
6.561754
8.510178
7.572649
6.131321
5.511795
6.159398
6.579821
5.424146
5.831751
8.543260
5.187078
6.708731
8.566332
8.255165
8.928892
6.130345
6.232521
5.795984
8.762017
8.911069
8.390545
6.934202
6.647816
5.986785
6.454085
5.465041
5.562700
5.483108
# Label of molecule (6)
0.835609
# Number of Instances of molecule (7)
4
10.562831
9.108373
9.730797
10.563790
12.352492
8.978092
11.232725
9.373549
10.553387
8.742672
8.731083
10.019908
9.429342
9.751002
12.604680
10.751548
11.550004
11.081939
11.697618
11.638175
11.899027
8.781064
11.001297
9.579857
9.638279
12.124279
10.601128
10.139221
10.933074
11.709545
12.421314
12.065275
12.103352
11.327037
11.606891
10.800865
10.026426
9.845822
9.097833
11.910499
10.198032
10.203580
12.450971
8.799528
9.178526
12.436223
11.627533
10.048152
11.644470
11.731855
12.512674
8.418260
9.800174
11.448883
9.309167
10.927393
8.481843
12.555832
9.622730
8.635907
10.216030
12.316592
10.707292
8.747766
10.841360
9.416403
10.436571
9.329560
10.425554
10.165564
12.138577
10.123785
9.931643
10.071230
8.330175
8.978023
10.699931
11.463264
8.738175
9.875135
11.796024
9.232204
9.846719
9.321623
9.683105
9.468596
12.211635
8.500792
11.185758
10.098397
11.205895
11.447792
12.337471
9.243318
11.841366
12.614902
11.720946
10.167123
11.295096
11.711606
9.028861
9.439132
8.966308
12.099368
11.707378
9.021876
8.828490
9.532774
11.798219
9.137957
10.757248
11.499414
9.243175
12.443582
9.487282
10.012912
11.560546
11.847536
11.832878
12.401281
9.862391
9.896777
8.826198
10.426184
9.511127
12.302269
10.928309
10.585458
9.448894
10.203277
11.677593
8.651634
10.565869
8.850340
9.218018
12.411889
10.886168
12.818832
9.988104
11.971244
11.478556
9.800346
10.498561
10.625364
8.740782
10.847439
9.859063
9.036004
11.841653
11.331219
10.297517
11.509267
8.377171
12.694246
10.447281
11.241937
10.435872
11.160263
9.925267
8.398063
6.257981
7.960016
9.050079
8.960728
9.720043
7.109159
5.830454
9.045152
7.704901
5.956557
5.747932
5.850719
6.790689
7.691595
7.235771
5.561037
5.788461
6.678625
8.504730
9.261711
7.537538
7.346248
8.175130
5.681646
5.911512
6.989547
5.876720
7.747871
8.477142
6.711829
7.058275
8.131184
9.299310
8.544771
9.384030
7.660344
8.271203
7.623478
6.089862
8.477386
7.342341
6.292016
7.677068
5.810678
8.020096
7.012986
9.315546
6.240501
8.519257
6.956465
9.333613
6.330592
8.935408
7.144337
6.168844
7.503235
6.817057
7.024094
7.155202
9.030747
7.510926
9.347041
8.519257
7.019089
7.654851
6.226463
7.964919
9.260002
8.195517
7.250786
9.217277
5.822764
7.303888
8.525361
7.903272
9.265862
5.564089
7.520203
6.142720
8.338832
5.810923
6.596591
9.225822
9.052721
7.990432
6.088885
7.750923
6.991501
9.419309
5.815195
6.599399
8.741798
6.817789
7.893872
8.119831
6.313746
6.490875
7.738838
6.899701
6.430204
7.032273
6.109882
7.496765
6.557039
8.928327
9.092883
6.507599
7.550966
7.433531
8.884014
6.345485
6.800211
7.096362
8.254479
6.106220
5.731452
6.306909
5.569460
8.892926
7.559389
6.244285
7.236991
6.977828
7.153493
8.596164
8.461028
8.175619
8.896832
8.427580
9.174673
8.800760
6.412259
6.573519
6.028092
8.587741
8.030717
7.929395
7.306207
8.946150
5.876110
6.013932
7.650334
5.926771
8.444182
8.183065
5.460082
7.274712
6.545808
5.864635
7.850902
8.941389
8.495209
8.193686
6.038469
8.434172
6.413358
7.418882
6.031632
6.376980
5.525147
6.459868
5.501465
5.655400
6.322291
8.986435
5.707404
7.524232
7.469298
6.396023
9.351924
6.049821
7.326350
7.532655
7.232963
6.521638
5.887097
8.674169
6.817301
8.286218
7.340632
5.886120
8.229820
7.811716
7.111866
7.754952
5.811899
5.502564
7.732490
7.057421
6.098651
7.226249
5.830454
6.094012
8.419523
8.080767
7.993240
5.983413
5.241325
8.060259
7.559511
5.292962
8.129597
7.994095
7.217093
7.379818
7.199881
8.133869
6.279443
5.818125
5.938734
5.764534
5.517212
7.287774
7.265313
6.213767
8.419889
5.297601
4.710303
7.634342
7.760567
8.121296
6.588046
5.935316
8.343104
6.317774
7.034104
8.237510
6.801309
7.213553
7.786691
5.224723
7.329402
5.720344
8.584689
6.772256
6.216330
6.864177
6.057268
7.220145
8.060503
5.399655
6.981735
8.672582
6.538606
5.886120
7.782907
8.694189
8.604587
8.598849
6.149434
4.780251
6.992477
8.652074
8.643406
5.975600
7.900220
5.706915
8.175253
8.016678
6.727088
7.641789
7.223685
6.371364
6.741127
5.556154
8.669652
7.554384
5.551637
7.488830
6.124409
5.088122
8.260582
8.218467
7.625187
8.489715
8.169271
6.527741
8.570772
7.654363
5.915052
7.302057
7.776559
5.013779
7.911451
7.840037
6.521149
5.842051
6.969527
5.748909
8.459319
7.085253
5.972549
7.802194
8.277917
7.089160
7.481384
5.131458
6.969283
8.601413
6.143941
6.131611
5.595828
5.420530
6.784829
8.449309
7.422544
5.070299
5.048814
5.434202
8.291711
5.870617
5.475341
8.425993
5.114002
4.783059
5.876110
8.250816
6.353420
6.404935
6.893841
5.306024
6.377224
5.485351
7.614933
7.604068
7.550111
5.341792
6.111591
6.152364
7.943922
8.548921
5.789315
7.045579
6.540681
6.274926
6.413724
5.641972
7.802805
6.299341
5.580691
8.591281
7.381283
8.460784
7.656194
5.008286
5.216544
7.921583
6.243797
7.005905
7.987869
8.712500
6.392361
7.730659
7.703192
6.428373
5.612552
5.565188
6.164937
7.796579
6.024918
6.504425
7.255181
5.955214
7.000290
8.180868
4.899152
4.818094
8.166219
5.912122
7.585391
7.900952
6.657384
7.148976
6.313257
4.981429
6.481964
6.694006
6.847575
7.974197
7.880566
5.071642
5.150624
5.386593
6.552034
6.419584
6.870891
6.740638
6.622227
6.279321
5.759651
6.326563
5.228996
5.660283
5.893933
5.670049
8.600192
5.752083
6.578036
8.084063
5.497925
7.660588
6.799722
8.682470
5.906507
7.541810
8.117267
5.228507
6.835490
7.510193
4.849345
5.195669
5.117176
8.694189
8.446867
6.412870
7.069384
6.815958
6.916791
6.671911
6.901532
8.670141
6.178732
7.670354
7.737739
5.873791
6.223289
8.664769
5.131581
8.268273
6.952193
7.211234
6.948653
5.340327
8.571749
6.365749
5.491089
6.046281
5.416990
5.720344
7.739448
5.405026
6.080340
7.651677
7.585635
8.243370
6.719031
8.153401
5.935560
6.461821
6.418363
7.631413
6.551180
8.201254
7.483947
7.033738
5.511109
7.280938
5.539186
8.692236
6.163839
7.286798
8.301965
7.249565
5.446898
8.681372
7.915845
6.047380
7.449522
5.313715
5.711676
8.350795
6.090960
6.701941
6.273827
6.782632
8.792825
8.464446
7.685247
8.345668
7.016892
7.273980
4.827372
6.403104
5.546510
6.711585
8.611789
4.997909
8.384121
6.392239
6.012589
6.880413
5.141224
8.740455
7.782662
6.623692
7.796579
7.787790
8.721778
8.199179
5.694586
6.370510
7.375423
8.387906
8.662816
# Label of molecule (7)
0.894134
# Number of Instances of molecule (8)
3
10.567396
8.900896
9.671718
10.660415
12.317275
8.949971
11.372648
9.219414
10.355533
8.681925
8.575532
9.910309
9.375504
9.771854
12.596824
10.534488
11.575976
11.251975
11.748453
11.831404
11.888946
9.033440
10.928564
9.494941
9.835658
12.134134
10.471795
10.040898
10.818127
11.723654
12.352624
12.180933
12.242496
11.307447
11.581042
10.885808
9.821198
9.879942
9.002778
12.016758
10.230870
10.205578
12.419756
8.864499
9.231109
12.579349
11.442875
10.025848
11.750021
11.611463
12.350728
8.290276
9.514778
11.520054
9.328469
10.857964
8.486366
12.552007
9.662816
8.380867
10.185599
12.191230
10.748187
8.878095
10.821603
9.252718
10.414525
9.375318
10.386877
10.137105
12.243296
10.032820
9.698914
9.982157
8.392964
9.086849
10.608563
11.163631
8.784281
9.898758
11.700962
9.335811
9.842101
9.345026
9.610785
9.621444
12.062896
8.542295
11.069919
10.053281
11.177360
11.525381
12.496150
9.369487
12.018837
12.676882
11.685253
10.204428
11.331052
11.672485
8.829129
9.565371
8.813554
12.180116
11.614209
9.188576
8.829277
9.524425
12.006706
9.102374
10.882275
11.494927
9.325980
12.216999
9.308068
10.202573
11.758378
12.286124
12.105071
12.814018
9.843496
9.894080
8.615040
10.011046
9.329901
12.362660
10.940871
11.113841
9.104098
10.018253
11.420492
8.499976
10.074293
8.959843
9.315708
12.296879
11.177055
12.590415
10.171997
11.783887
11.488347
9.747436
10.284555
9.949805
7.401612
9.857863
8.529458
7.835147
10.396236
9.268765
7.973876
8.362947
7.097268
9.383736
7.968706
8.861677
10.854360
9.342026
11.872411
8.731758
7.894168
8.887744
7.249054
6.753457
6.605131
7.439663
8.748024
6.649205
6.431425
5.273064
7.805490
8.785134
5.062120
5.883190
5.071642
8.159749
8.445524
6.045671
8.113727
6.688147
8.410611
8.728736
8.653539
7.097827
5.384640
6.530183
8.309900
5.022813
8.020463
5.426145
6.332911
6.249168
6.004532
5.103870
7.204154
5.479980
4.920026
7.256401
7.980544
5.002670
6.039811
5.212394
7.254448
5.626835
7.922559
6.278466
7.606876
8.272301
8.690283
8.165731
5.426389
6.579134
5.859630
8.877789
7.972121
4.918073
8.603732
7.435484
7.552065
6.172506
7.316950
6.811686
8.695288
7.669744
7.361751
8.452116
6.189596
5.635136
7.867748
5.757210
5.863536
6.546541
8.462981
5.900891
5.982803
5.758919
8.807474
7.358089
7.141896
7.780709
7.808054
6.520051
8.520112
8.571505
7.387753
8.770363
6.382107
6.238792
7.683782
5.396115
8.694189
8.508393
6.551668
7.711005
5.732673
7.343074
6.247703
7.762520
6.561190
5.084582
8.167440
5.003159
5.247551
6.494293
6.512238
8.294763
6.700476
5.066759
5.762703
8.624729
7.996048
5.992813
8.829325
7.908521
5.073473
6.144795
8.759499
7.253105
8.671728
5.460936
6.874065
8.055864
7.383602
6.103656
6.207907
5.314325
5.702155
5.764657
7.130421
6.522614
6.934858
5.495483
6.021134
7.528260
8.858501
6.435087
7.874462
6.724891
5.992325
7.811472
5.709357
4.956160
6.363796
8.591403
5.659062
8.505951
8.640355
5.153554
6.614536
6.547761
7.503967
7.361263
5.298456
8.433073
5.142689
5.406491
7.644108
8.187460
8.735572
5.804331
5.352535
5.594729
7.802072
4.909528
6.506256
7.241630
7.296442
6.332667
7.111011
4.897443
6.318262
6.628452
7.077151
8.396283
7.840602
6.624744
7.412000
8.590014
7.230232
9.013611
8.179479
7.853664
5.718833
5.683798
6.131932
6.003021
5.856288
9.033265
7.602191
9.470046
7.894559
7.978912
8.291421
6.506699
8.337321
6.190161
7.800073
9.288766
6.421003
8.656178
8.776177
7.291391
7.398328
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6.315043
9.503616
7.664449
9.166814
9.533158
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6.096896
9.586138
6.938963
7.483779
6.051729
6.098239
9.566118
6.427595
9.641804
8.658742
6.856441
6.323710
7.761864
7.118900
7.553484
8.816462
7.507706
7.194342
6.491440
8.590747
6.931639
6.050264
5.660360
6.594592
8.508347
7.379284
7.917875
5.941008
8.687551
5.846034
7.725242
7.363903
6.907224
8.774468
9.281564
7.104862
7.442640
8.951720
8.431440
6.104099
9.466262
8.424604
8.721488
9.370800
6.693716
7.163579
7.979522
8.408246
7.991241
8.467818
5.792688
9.569292
8.317667
6.988647
8.259194
9.215888
9.379345
7.244636
8.387494
6.558214
7.368786
6.503647
6.520615
7.048708
7.166143
5.907804
9.157414
7.206305
8.375408
7.714743
6.547349
5.744102
6.572008
6.531602
7.435072
7.878201
7.136845
8.416425
7.326792
7.689840
7.049562
5.720664
8.656178
7.418348
6.020356
9.550981
9.223212
6.557970
6.329936
7.720115
9.281442
7.635395
6.757927
6.068209
5.649007
7.540178
5.970183
9.024354
7.218146
9.287057
8.743339
9.285104
8.237220
7.081179
6.399640
6.486679
5.742393
7.563982
8.828425
8.743706
9.512406
8.113559
7.467299
8.928892
6.920774
7.074221
6.620594
9.572222
7.063356
6.791986
6.488266
8.250160
6.532334
8.327921
7.279916
9.343577
9.214911
# Label of molecule (8)
0.817182
# Number of Instances of molecule (9)
3
10.605114
9.158363
9.743911
10.701267
12.557280
8.926267
11.502076
9.242756
10.341490
8.698875
8.529707
9.946851
9.529258
9.842632
12.608706
10.585109
11.697093
11.041516
11.765112
11.594764
11.790673
8.964122
10.948450
9.596390
9.866804
12.380822
10.611917
10.064944
11.081989
11.735601
12.284355
11.991028
12.007367
11.213776
11.712786
10.961898
9.821561
9.927713
9.041823
11.749740
10.054463
10.285916
12.735061
8.816196
9.162361
12.572402
11.438225
9.986297
11.583887
11.736366
12.641516
8.432956
9.529427
11.472999
9.451427
10.930232
8.569130
12.474076
9.605372
8.509122
10.172203
12.154540
10.803653
8.690251
10.680068
9.220651
10.562194
9.268893
10.353843
10.031174
12.134524
10.208075
9.701313
10.057120
8.452894
9.002816
10.690053
11.300690
8.694757
9.974905
11.618130
9.199709
9.713596
9.171824
9.491245
9.587144
12.121128
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11.141803
10.071438
11.158871
11.315662
12.247105
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12.028853
12.688356
11.528317
10.122080
11.310576
11.855662
9.086238
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8.765013
12.193228
11.282977
8.909500
8.914038
9.481297
11.996532
8.982185
10.534478
11.214133
9.321396
12.649168
9.578210
10.260599
11.712561
12.154435
12.095892
12.542626
9.750740
10.204346
8.524270
9.964092
9.330808
12.679812
11.210941
10.973959
9.308561
10.286936
11.848043
8.510936
10.262914
8.659527
9.079212
12.300217
10.597722
12.298003
10.390236
11.476176
11.691230
8.850556
9.098150
10.039993
8.784050
10.494320
8.534606
6.746694
10.403710
10.928059
7.812680
10.107899
8.659470
12.780700
10.698247
9.210248
9.602754
10.673561
10.942672
7.836885
6.107222
5.762423
9.980441
6.922088
9.142587
9.175016
7.227500
8.062487
6.930128
7.223594
8.026353
5.403104
6.875683
7.314539
5.354274
4.845714
8.057726
6.541078
7.549654
7.937971
6.406796
4.903821
8.205313
6.544008
6.434141
7.372280
8.091540
5.739662
4.931654
6.508118
7.478851
8.135487
6.509705
7.207602
5.231956
8.505127
6.342952
5.435453
7.054643
5.593783
5.505646
6.825877
7.255699
7.981063
6.264824
5.025407
6.415220
4.872936
8.711188
5.654088
5.323389
6.699530
8.100330
7.757302
5.568026
6.391171
6.279962
8.626347
5.144917
6.211112
8.578372
7.859844
7.467498
5.015397
7.527680
8.543458
8.149648
6.820017
8.800180
7.420866
5.936445
5.545564
8.728278
7.932478
6.159230
6.818308
6.786691
7.996323
7.088214
5.699255
6.410825
8.405881
5.559359
5.219993
7.524995
5.719886
8.248894
6.595889
8.157216
7.520722
4.971572
7.995956
6.515198
5.912275
6.378353
6.740913
4.897961
7.138508
6.425230
5.807413
6.817942
5.190573
7.993149
7.510712
8.709967
5.284204
8.029038
7.241783
5.600375
5.077532
8.587283
6.136280
8.112659
7.506073
6.143117
7.545381
6.183523
5.111103
5.555086
8.188345
4.865246
5.734046
7.051225
4.858654
7.589206
7.453703
8.612796
7.561007
8.264153
8.640385
8.132191
7.950911
7.586886
5.001724
7.719703
5.956709
6.938185
7.497772
8.531983
7.453825
7.240074
4.994766
6.501038
7.870464
6.147633
5.539949
5.335231
6.596377
4.953871
8.125233
5.169454
7.073687
6.579287
6.820261
7.238121
7.439299
8.021958
7.147053
4.946913
8.599612
8.644536
8.571291
5.718665
8.608768
5.672155
4.986099
5.986251
6.226493
6.275323
5.063860
7.710181
6.531556
7.063952
7.733650
6.492279
7.237907
6.042192
8.439726
8.359767
9.102100
5.420103
6.302820
5.119312
8.478545
6.032182
7.522584
7.680425
7.801035
8.802896
6.126057
6.703345
8.599399
8.278344
8.284692
7.284783
7.421018
6.308435
8.808390
7.229118
6.619602
6.250816
8.697546
6.279504
7.885388
6.073931
8.621738
7.687017
6.393765
6.733863
7.204947
7.487793
5.444884
6.198569
6.990097
8.869427
5.471374
7.497192
8.957442
8.995651
7.287469
7.165883
6.473846
7.668218
7.456053
8.468657
7.546266
5.199393
5.647282
5.765572
8.254173
6.870830
5.864940
8.405423
6.237877
5.352351
7.414426
6.515473
5.116382
6.457854
7.488281
7.066149
6.708716
5.611515
7.243889
6.583102
5.936110
8.399808
7.248283
8.883099
5.278985
6.584567
8.165304
6.207968
7.662358
6.953108
6.559420
8.133198
8.647496
8.376858
5.692328
8.623203
6.801859
8.458403
7.186758
7.611087
5.125416
7.137928
7.431761
5.477111
6.404508
8.636387
8.606113
6.800027
7.371822
9.108936
8.193014
7.756233
6.546358
7.385006
8.862835
7.544069
6.626804
6.168905
8.597446
6.205405
6.315394
9.076586
8.931806
5.220267
6.446501
8.882488
5.187918
5.251152
5.294610
8.354030
8.576205
5.409848
7.937269
9.045457
8.038102
6.423063
8.547395
5.428159
5.707221
6.071123
6.490204
7.732795
5.861644
5.275445
7.101062
6.875225
7.243645
5.209891
8.015641
8.845622
6.621921
5.809519
5.932081
7.932142
7.470702
6.053056
8.676916
6.156575
5.640934
8.394925
7.449950
8.294946
5.899365
7.719001
6.125446
7.858898
5.209037
7.192007
6.481414
5.414609
8.626988
5.390194
6.234825
# Label of molecule (9)
0.824060
# Number of Instances of molecule (10)
4
10.383739
9.150600
9.750290
10.535452
12.586556
9.004985
11.258645
9.321902
10.289780
8.818232
8.487905
10.101074
9.407334
9.877249
12.468483
10.762792
11.561961
11.076010
11.480505
11.543534
11.800439
8.871298
11.032257
9.568158
9.858870
12.343757
10.384226
10.128497
11.042353
11.786246
12.189769
12.055517
12.033514
11.278137
11.569450
10.875498
9.945279
9.692381
9.138794
11.964160
9.980033
10.355495
12.666457
8.872674
9.282817
12.606966
11.525339
9.899525
11.614049
11.673476
12.640766
8.348571
9.674362
11.493544
9.214846
10.822184
8.386356
12.371686
9.540089
8.439663
10.075870
12.337120
10.619358
8.769619
10.820995
9.329518
10.333139
9.286887
10.304832
9.891574
11.956031
10.030561
9.708046
9.829332
8.567356
8.899077
10.447846
11.278058
8.755393
9.946948
11.567697
9.378671
9.672168
9.304678
9.449958
9.508387
12.260055
8.451957
11.086045
10.015102
11.259008
11.541835
12.301390
9.306487
11.978637
12.338454
11.692705
10.158245
11.095566
11.944850
8.818900
9.523471
8.806763
11.770423
11.242661
8.889798
8.850562
9.596963
11.716374
9.342611
10.729369
11.174331
8.987587
12.506375
9.538736
10.340146
11.320569
12.184171
12.213546
12.272808
9.882367
9.801921
8.519924
10.311041
9.478667
12.853957
11.061729
10.579558
9.411887
9.924612
11.797472
8.784721
10.417332
8.852591
9.266284
12.026488
11.052080
12.439356
10.579764
11.914364
11.624960
9.630028
10.445514
10.666593
8.432571
11.037023
9.881312
8.668052
11.855065
11.311139
10.346585
11.319967
8.349268
12.661005
10.807565
11.504192
10.671998
10.771395
11.638094
7.174135
7.304331
7.847406
9.948848
7.927941
7.329590
6.629365
5.960463
7.625187
8.603488
6.957686
6.333033
7.752998
8.992294
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7.638615
7.327937
5.102527
6.783242
5.624638
8.827494
6.868816
6.210959
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6.103168
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6.059587
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5.535157
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7.089892
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6.927168
6.225364
5.386471
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8.125324
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6.561556
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6.239647
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6.074236
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7.440611
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8.490692
8.221030
7.760079
7.515564
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5.276971
8.082842
8.453215
7.814280
8.592990
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5.893689
7.003220
6.821207
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6.293603
6.086566
6.005997
8.116169
5.997085
6.701209
6.518464
7.196463
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7.577944
8.694189
6.241111
8.084552
6.733314
6.616611
7.281671
7.470153
7.681829
8.285119
6.605258
7.885937
7.796701
6.223045
5.056139
8.855815
6.742958
8.415128
6.304712
8.794778
7.552431
6.805094
5.544557
6.207541
7.535829
5.914197
6.962569
5.191519
6.404813
7.448668
8.357265
8.120563
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8.776345
5.281121
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5.864757
7.145070
5.081774
6.044694
5.441527
7.518128
7.214774
7.331233
8.597262
5.901257
8.206626
6.769326
7.520814
6.038469
7.640568
8.898785
7.967605
5.348262
5.541017
8.407315
8.358364
7.978347
7.531190
5.572146
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8.851543
8.138874
7.879955
7.427305
6.579379
8.626438
6.702307
7.369076
5.118885
7.718696
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7.831492
6.043962
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5.236564
6.556551
7.311701
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7.460265
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6.394070
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6.288354
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6.151265
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6.378323
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6.687658
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8.971908
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7.619205
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7.025925
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8.111042
6.163594
7.009445
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9.120472
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6.768960
7.912671
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6.675573
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6.046770
6.287255
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6.004166
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8.445647
8.889508
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8.041581
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9.032456
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6.516877
5.524537
8.593844
5.579226
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7.785104
8.119953
8.478729
7.222221
6.436064
7.990188
8.806009
5.463012
7.946974
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6.787393
5.956801
6.321314
8.563814
8.031938
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9.403073
7.861034
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5.511353
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8.915754
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8.296106
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6.664098
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8.987655
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7.093066
7.261284
7.085742
6.054216
4.962142
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6.868572
6.118061
7.422544
8.171102
7.353206
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8.217124
5.862682
6.008316
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6.095965
6.663121
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8.739357
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7.115040
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5.681036
5.758431
5.975845
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8.806742
5.386837
7.163137
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6.418363
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5.791757
6.973067
6.762856
5.493286
8.689917
7.555361
6.060686
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6.580477
6.666662
5.249748
7.919385
7.011643
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7.759224
8.204672
6.949995
6.929853
8.475799
6.258446
7.271050
8.694189
6.917035
8.086871
5.709113
7.719794
6.803385
5.871715
5.644780
8.388272
6.403104
6.848918
8.101886
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6.026139
7.366024
8.330897
7.951491
5.041124
4.995712
8.353969
7.675848
6.790811
7.577944
6.844768
5.505860
7.781320
8.066851
5.720099
8.051103
5.518921
8.058306
6.817057
4.931257
5.371822
6.870769
6.030900
5.090197
8.828837
7.056932
6.289697
6.223777
7.531800
5.219474
8.739113
5.201529
5.457396
7.006882
7.513245
7.355525
5.621586
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6.511139
7.682318
5.508179
6.243553
5.634404
8.816263
7.723090
8.053423
5.972915
6.243309
5.813242
6.538850
6.562777
5.775887
7.128224
8.100055
5.978042
6.764687
6.810343
5.056261
8.197592
7.819285
8.547945
6.018937
8.463836
7.676824
8.508637
8.849467
5.008896
5.593997
7.326838
7.578921
8.523286
7.638005
5.021836
6.663976
7.240410
7.249565
7.719428
5.952528
# Label of molecule (10)
0.865609
# Number of Instances of molecule (11)
4
10.606398
8.959434
9.667138
10.587789
12.397240
9.091457
11.295009
9.174005
10.493854
8.686645
8.689586
9.895869
9.563077
9.922949
12.697089
10.614231
11.505281
11.171399
11.613506
11.580768
11.808198
8.913615
10.856488
9.530084
9.774388
12.426603
10.465743
10.125704
10.933004
11.673217
12.231009
12.148737
12.229487
11.083258
11.439812
10.887461
10.014240
9.783065
9.025316
11.811115
10.081522
10.282349
12.422095
8.804757
9.058282
12.640464
11.507086
9.979368
11.655258
11.718334
12.304778
8.476646
9.696796
11.591369
9.276601
10.725770
8.411868
12.626949
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8.480737
10.317657
12.178928
10.647185
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10.782785
9.352188
10.320608
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10.333186
10.107402
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10.096337
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10.015904
8.412640
8.983865
10.504763
11.267062
8.535504
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11.522114
9.246018
9.871326
9.239631
9.692389
9.712699
12.184217
8.516506
11.256750
10.139423
11.105435
11.359797
12.315191
9.182511
12.048716
12.586091
11.776565
10.163777
11.122743
11.955250
8.910294
9.356728
8.817257
12.173196
11.394395
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9.000239
10.508504
11.232156
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12.257875
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10.062740
11.790930
11.976001
12.032433
12.708228
9.802108
10.201216
8.632614
9.943142
9.175798
12.720562
11.308081
10.665388
9.192251
10.418193
11.585133
8.339084
10.138516
9.016854
9.154847
12.707332
10.745965
12.903925
10.156085
11.771572
9.792988
7.269108
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6.220115
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6.396023
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6.046770
5.851085
8.236045
8.849956
6.677282
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5.385006
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5.597903
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8.023759
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6.174093
8.885113
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7.184988
5.557497
6.066546
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8.160726
7.388607
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6.613681
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6.505768
6.002457
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5.723395
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6.731727
5.240349
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6.360500
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7.426084
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6.265404
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8.625584
7.049120
6.001846
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7.018845
7.643132
7.335994
8.482391
5.726447
5.298212
5.510132
6.197775
8.406461
8.058672
8.184164
7.312555
7.048265
7.340388
6.816813
4.833476
6.027970
5.845225
6.139912
4.804056
8.448820
8.013504
5.744881
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8.568575
5.843150
8.694189
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5.687994
7.952834
7.529847
4.961653
4.874737
5.759774
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6.352565
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6.731483
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6.622105
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4.736183
8.675390
5.133534
6.530915
5.330073
8.714331
# Label of molecule (11)
0.790760
# Number of Instances of molecule (12)
5
10.374570
9.011831
9.600579
10.506745
12.491931
8.938898
11.179054
9.162450
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8.942478
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12.471245
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6.139409
8.497513
6.928861
7.046785
6.825220
7.935484
6.482681
8.644978
6.030030
6.626606
6.342906
6.645283
6.374279
8.253853
8.510941
6.389050
6.071413
8.253853
8.649129
6.520646
7.523484
7.945494
8.329173
9.221656
7.064852
5.837397
7.865413
6.311411
6.229133
6.991729
7.108676
9.091281
6.914945
9.315653
7.577685
7.803888
6.824244
7.658864
7.299478
8.586627
5.550768
5.440474
5.339274
6.381176
5.826350
5.195105
6.998138
7.163915
8.604633
6.083316
8.077395
6.898770
6.539262
8.815577
8.703024
7.020478
7.953124
8.767846
8.181158
5.387249
6.654988
7.262429
8.850246
5.511765
8.257820
7.465926
7.208106
6.595172
8.207526
6.778893
6.687216
5.241493
6.897305
7.594104
8.451918
5.727348
5.243934
6.294870
6.596149
5.699759
6.099063
6.373119
8.113407
6.180120
8.871731
7.536973
8.015259
8.747215
6.736778
8.687521
7.973388
8.774682
5.804743
8.637226
8.860622
7.599109
7.626820
6.444533
5.564013
8.491714
6.411084
5.242714
6.448195
7.310526
6.325388
5.433882
5.840632
6.706381
6.259468
7.125828
7.916135
8.760155
5.425214
7.686880
6.354198
6.922208
5.166051
6.291940
6.145817
8.134526
8.353038
5.335856
7.922361
6.005066
7.741569
8.590106
5.184118
7.913205
8.664937
5.973937
6.801843
8.918729
5.437666
8.821802
7.165868
7.352031
8.845241
5.513718
8.360363
6.957732
8.094852
5.350871
8.734519
8.468520
8.601947
8.547014
6.247993
7.483261
8.988067
6.212226
6.964812
5.525315
6.663900
8.204352
7.069918
7.155980
7.374371
6.721763
6.784997
6.015687
8.078249
5.514084
8.557390
8.672140
8.540056
6.585284
5.897641
7.146702
9.006623
8.262215
7.240089
8.996246
5.346232
6.508133
5.202307
7.824213
7.022187
5.350871
7.618030
7.096652
5.277627
8.304941
8.717551
8.137577
8.907010
8.658956
8.833155
7.179418
6.987518
6.507889
9.001862
8.343150
7.947874
6.399976
8.841456
5.422651
6.345897
7.477523
6.076235
7.349467
6.734336
7.983154
6.084658
8.211310
7.985961
8.010865
7.846431
# Label of molecule (12)
0.826538
# Number of Instances of molecule (13)
5
10.549290
9.109516
9.664302
10.737023
12.347797
9.077998
11.296839
9.184462
10.280623
8.880593
8.537119
9.950957
9.584275
9.786979
12.531614
10.550705
11.716341
11.213695
11.483909
11.587195
12.016253
8.888873
10.988840
9.504291
9.643933
12.139708
10.678488
10.013489
11.049208
11.649916
12.452284
12.203893
11.997480
11.084328
11.527001
10.870736
9.904961
9.727570
8.992107
12.063428
10.032246
10.220104
12.473693
8.718198
9.082407
12.594038
11.404851
10.065362
11.706154
11.433662
12.616954
8.458323
9.557584
11.682971
9.438110
10.700895
8.378465
12.377576
9.722766
8.371649
10.309650
12.128248
10.675443
8.740664
10.653692
9.460376
10.287059
9.239387
10.464958
10.076772
12.002221
10.267667
9.939963
9.929961
8.431162
8.842954
10.452161
11.232835
8.630566
10.053360
11.703460
9.298138
9.624773
9.159883
9.698676
9.517200
12.330212
8.336422
11.040536
9.941656
11.275276
11.501719
12.508437
9.332187
12.117415
12.652103
11.824037
10.130356
11.143693
11.900089
8.805210
9.333075
8.942276
11.971827
11.434251
9.323928
8.541705
9.463434
11.934509
9.431997
10.898443
11.246199
8.854812
12.675841
9.274093
9.827058
11.198074
12.185846
11.993729
12.292694
10.059972
10.079380
8.918291
10.486243
9.432475
12.822842
11.122650
11.089369
9.036318
10.472454
11.710508
8.722888
10.108057
9.115880
9.055267
12.237370
10.964171
12.575561
10.011752
11.712188
11.251423
10.062277
10.293635
10.220555
8.394228
10.692663
9.569907
8.822268
11.638328
11.401835
9.949852
10.976471
8.469772
12.665990
10.601672
11.743312
8.473930
10.032573
8.747902
7.630416
6.492788
6.418946
9.143958
7.350096
7.742634
7.144317
8.920789
7.191000
5.395901
6.828806
5.443388
5.704749
6.514710
6.961379
7.473724
6.667547
6.352229
7.646580
8.985977
8.063952
7.012528
7.965804
7.492157
8.261467
8.614750
7.639988
6.112842
9.084613
8.580447
8.521729
6.423276
5.192648
8.130482
6.078417
6.446104
6.638859
7.369106
8.744270
8.169179
7.481903
8.328364
9.012345
8.960463
7.329188
7.347621
8.146107
5.257714
6.684027
8.166250
6.381649
6.905469
6.972243
5.099384
8.497436
6.515687
8.123646
7.677587
8.626347
6.227592
6.583316
8.119617
8.185049
6.239799
6.627873
7.018509
6.795114
5.491974
7.860820
6.611881
8.071764
6.869091
5.762490
7.014359
8.154897
5.304346
8.170766
6.785226
8.856212
7.156209
8.565065
7.207236
7.300134
7.232627
7.030961
5.651036
7.931135
7.839946
7.779519
5.401761
8.762703
6.229179
8.095569
7.319666
7.744240
6.816721
7.591037
6.713202
5.120258
8.552492
8.638920
8.797494
7.656468
7.812479
8.859996
6.113453
6.606998
7.189047
8.540895
7.283654
7.301477
6.554750
5.856243
8.478393
6.221488
6.775216
6.770455
8.967421
5.445708
6.444395
6.493957
6.134205
8.337153
6.019211
5.370144
7.324183
6.346980
7.727271
8.065661
5.905072
8.811289
5.622715
8.941053
6.913160
5.614292
6.166433
8.476440
5.659581
6.594424
5.703406
7.626194
8.673956
7.567232
5.214255
8.978774
8.357418
6.839915
8.715827
7.595920
8.723151
6.094775
5.683386
8.406735
5.596347
7.512787
7.873882
9.031510
6.651555
9.015641
8.919691
8.910047
6.659612
5.499542
9.073016
7.609836
7.321375
5.936689
5.473052
5.188864
9.062151
6.217826
6.311213
7.488128
5.644429
5.602313
6.971374
9.098880
6.985900
6.161534
8.342021
9.181158
5.660665
6.906186
7.259102
6.701712
8.818720
8.952269
5.569475
7.021668
7.091128
8.231666
6.791192
7.066225
6.022248
6.737236
6.133213
6.863826
6.023103
8.823847
7.478957
7.826624
9.225593
9.437391
8.702994
7.648274
5.607929
7.150090
6.700247
7.694540
8.770257
8.874874
7.500931
6.760308
5.732566
7.134098
8.846065
9.068972
7.131901
8.758660
8.598621
8.389508
6.192053
7.890835
6.367107
8.144993
8.842647
6.167882
7.713218
7.388867
7.360790
8.960082
6.321451
8.523423
7.912198
8.537217
5.504898
8.634632
8.364605
7.041566
6.420942
6.320475
8.750481
6.139805
8.373760
5.885159
6.752617
8.229225
8.577746
6.776666
8.589099
8.073580
6.756279
8.140599
7.669637
7.744957
5.951933
8.366558
9.403333
5.743675
6.922544
5.501968
6.526902
9.173956
7.497879
6.407758
7.333811
7.848231
8.272927
6.531175
9.175054
7.197943
8.011322
8.170873
7.608966
6.861995
6.135166
7.109439
5.575335
5.830958
7.675985
7.487991
8.966308
9.021241
8.061129
6.797418
8.972045
8.152562
9.111087
6.862972
5.574114
7.807337
7.623493
8.694571
8.563585
5.542375
7.917203
7.080386
6.454512
8.932127
7.712973
6.797784
7.675130
6.415082
8.724357
8.315043
8.403668
6.821467
9.335093
8.861812
7.430128
8.454329
6.737480
6.740776
6.415082
8.600452
5.906644
6.757500
7.922452
6.346843
6.784845
6.640919
5.600604
5.576434
7.053407
6.332560
6.887631
7.017762
7.863857
8.016816
6.612964
8.225196
7.906217
8.769524
7.875454
8.363872
9.187872
5.697287
8.567003
8.673696
5.510117
5.077120
5.322489
7.537034
9.050508
6.273812
6.650044
7.881893
6.307749
8.025086
8.877529
6.171026
7.691458
6.732688
7.413251
5.245827
6.879788
7.015778
6.585345
6.156133
7.111850
8.627766
5.897092
5.244728
5.750481
5.178564
8.993622
6.725730
7.495285
5.537217
8.712851
8.628986
6.617695
6.787255
7.600513
5.987304
8.596515
5.613392
7.257851
5.140721
7.524216
8.993255
5.902097
9.032807
5.664174
7.066439
5.512925
7.373699
7.529954
5.061251
7.938780
7.546922
6.862819
5.148900
5.339702
8.131535
6.883816
7.103305
8.342112
6.917264
8.193793
6.640522
5.276833
5.287698
8.695883
8.312693
7.881771
8.843593
5.918088
7.831843
8.836879
6.145268
6.108280
8.698447
6.512711
5.446638
6.477798
8.009217
6.303598
7.295694
6.968413
8.320261
5.921873
8.878262
5.918088
6.439100
6.028687
5.978149
7.999817
8.022401
5.574816
8.430128
6.808863
6.852199
7.228553
6.939360
6.474136
5.667959
8.262886
7.143834
8.666829
5.427839
6.280892
8.792932
5.383526
7.873959
7.149815
5.919431
7.877499
6.278573
8.522538
5.877926
8.112491
5.244484
6.318979
7.125645
7.116733
8.434645
5.545030
5.619617
6.608905
7.106601
6.820093
5.708365
6.273080
8.327586
5.992553
5.387677
7.056917
7.743095
6.215705
7.801080
6.868923
5.775628
7.858455
8.856044
9.048189
8.128239
7.628834
8.833094
5.983154
5.467513
8.281808
5.861934
6.254036
5.161473
6.289193
7.139683
7.672658
5.946898
6.844752
7.766167
8.597247
8.401929
5.580432
5.071505
7.894101
8.096988
6.369030
6.311289
5.923826
8.302438
6.586810
5.603381
8.925871
7.124180
4.993805
7.763298
6.958586
8.262825
7.108615
7.862300
6.887539
7.682241
4.878445
6.091739
6.185125
5.464644
6.993133
8.481338
6.077334
6.821009
8.043825
8.647725
6.552446
8.532365
7.172948
5.884091
6.351024
5.082553
6.747887
5.804254
5.416303
7.032563
5.432295
6.416211
7.181860
5.512009
6.031678
6.500443
8.067751
6.703452
8.486831
7.168432
7.564684
6.193060
8.390881
7.475326
6.279000
7.063936
7.405011
4.962065
5.312052
7.607044
7.947386
6.002869
6.352123
6.523148
6.530229
8.832423
5.851253
7.493027
6.121403
8.126225
6.664144
6.989471
5.902768
8.013428
8.521256
7.206519
8.803735
8.391614
8.714866
5.980407
5.181433
7.422468
6.369335
5.579028
5.026643
5.082919
5.673513
8.231819
5.065584
6.644246
7.448347
8.277963
7.137181
6.956999
8.425794
8.806787
6.217231
6.415357
5.613330
8.664937
8.467544
7.476424
5.120151
7.705802
5.682058
6.608478
8.818384
8.156255
6.507889
6.545000
6.215644
7.975585
6.812708
7.717154
4.913602
8.081545
7.577990
7.741935
7.027802
5.318522
6.689047
7.839595
4.942167
5.043367
4.998932
7.055757
7.776360
5.202551
5.041292
7.163549
7.936888
5.777032
6.765709
5.119419
7.131199
7.469588
6.671712
7.950560
7.216773
5.508835
8.717673
6.944182
5.260414
6.445631
5.375408
6.020081
6.185003
5.816584
5.211585
5.153966
8.376110
6.550127
5.363811
5.734184
7.624866
7.988769
5.293619
6.720054
6.781701
5.404828
8.185430
6.482009
8.496597
5.882992
6.370312
7.195166
6.419019
8.443983
5.147862
8.663350
8.235115
6.286691
5.381024
8.447768
5.914731
7.022553
7.240089
7.174169
# Label of molecule (13)
0.840100
# Number of Instances of molecule (14)
4
10.432710
9.002568
9.521643
10.471174
12.293952
9.015300
11.495161
9.151354
10.399986
8.772839
8.607694
9.939664
9.485259
9.758514
12.673051
10.756762
11.469070
11.000051
11.479791
11.614035
11.760170
8.994119
10.964443
9.638061
9.782855
12.228622
10.512728
10.147797
10.921849
11.639311
12.185029
11.964072
12.022926
11.124265
11.690457
10.876393
9.973271
9.823932
9.182234
11.962436
10.086429
10.348160
12.522494
8.721160
9.042469
12.563258
11.350064
9.903608
11.799297
11.446151
12.542518
8.323411
9.786555
11.569327
9.265895
10.778005
8.456891
12.615844
9.539925
8.551247
10.125426
12.109828
10.704525
8.837739
10.665380
9.322712
10.385374
9.338273
10.371663
10.124578
12.098898
10.042515
9.708028
9.835546
8.363809
8.945764
10.696603
11.478890
8.676783
9.913535
11.687986
9.259271
9.795064
9.186800
9.447213
9.444770
12.105176
8.384315
11.249589
9.856354
11.150965
11.387120
12.347844
9.308431
12.105786
12.500705
11.671481
10.023022
11.370974
11.766203
8.818562
9.472131
8.982205
12.037140
11.455519
9.295791
8.939288
9.555614
11.847801
9.222649
10.725216
11.471461
9.234507
12.792559
9.315153
10.169421
11.625379
12.208409
12.296043
12.183080
10.180539
9.918195
8.789264
10.311573
9.405244
12.649726
11.166515
10.884744
9.341845
10.263421
11.820706
8.546740
10.044731
8.824189
9.169967
12.666526
10.961034
12.325936
10.426167
11.466846
11.610521
10.052249
10.534079
10.712453
8.446543
10.872000
9.793844
8.706455
11.798322
11.303107
10.206554
11.121550
8.267623
10.161329
10.180880
9.792844
9.827968
9.121502
10.316545
6.853662
8.913510
6.792341
9.747598
6.648641
6.929930
6.452012
5.266762
7.843135
5.550829
7.105564
5.178381
5.718925
8.510880
6.399976
6.665242
6.482864
4.957183
5.812433
4.787378
7.512680
8.255379
5.104892
6.838954
8.415662
6.221992
7.604480
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8.503189
8.299203
9.285073
9.106601
# Label of molecule (14)
0.857919
# Number of Instances of molecule (15)
5
10.468450
9.113563
9.682414
10.621058
12.401198
8.997328
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6.495270
5.626347
6.259423
6.351100
8.566988
8.800638
7.672063
6.684118
7.416196
8.693823
7.965041
5.064562
6.122333
6.289575
6.618198
6.812784
8.603610
7.641789
5.359981
5.123646
5.441282
6.123066
7.613224
6.016739
5.542970
8.792703
6.716102
5.588382
5.013901
6.754067
5.290399
6.445830
6.615879
7.382382
6.134053
6.194113
5.186880
8.291467
5.011216
8.854595
8.396451
6.919843
5.716559
8.085894
8.211386
5.608768
7.787301
5.086779
8.448698
6.046403
7.239311
6.052507
7.788522
4.954817
8.701636
6.060442
7.623234
4.894757
5.323359
8.261803
8.117512
8.061724
8.831034
5.251335
5.854137
6.949141
6.106708
7.493713
8.441618
7.754952
8.667821
5.677618
7.456114
8.403897
# Label of molecule (15)
0.832123
# Number of Instances of molecule (16)
4
10.499093
9.009092
9.644328
10.521996
12.415857
8.891612
11.325393
9.231891
10.512130
8.889433
8.507794
10.015840
9.496781
10.019815
12.643904
10.760384
11.631683
11.135172
11.506186
11.715695
11.754478
8.997859
11.010618
9.719135
9.896000
12.186241
10.513027
10.098528
10.905385
11.685122
12.282335
11.941963
12.127937
11.300574
11.584243
10.879207
10.068475
9.677966
9.240318
11.942916
9.935579
10.298530
12.591240
8.920634
9.065941
12.575327
11.636690
10.193764
11.722288
11.423546
12.592751
8.257881
9.765918
11.755019
9.407674
10.768017
8.436587
12.440598
9.689427
8.566616
10.197255
12.223028
10.695704
8.856662
10.788756
9.245474
10.499627
9.257967
10.397401
9.943898
12.124695
10.036086
9.914819
9.887045
8.563603
9.025248
10.487058
11.174698
8.599976
10.153345
11.692059
9.447457
9.881729
9.122648
9.639916
9.512944
12.214475
8.536473
11.162061
9.914883
11.216316
11.381245
12.518344
9.234064
12.092533
12.510926
11.646769
10.004011
11.327066
11.938959
8.862766
9.460716
8.929304
12.120011
11.426605
9.301245
8.865488
9.547009
11.805718
9.235062
10.822515
11.535276
9.174206
12.604748
9.272218
10.252608
11.456308
11.889891
11.953612
12.550603
10.154277
10.026022
8.622307
10.469585
9.339078
12.688790
11.255147
10.956833
9.139021
10.074848
11.733389
8.432900
10.222333
8.898952
9.387527
12.541764
10.624743
12.511917
10.398985
11.496507
11.617041
10.127340
8.973607
10.519994
6.496126
8.590676
9.726738
7.208425
11.680795
8.645167
9.122695
11.001591
8.279696
9.988156
9.795683
8.967081
9.465522
9.618005
9.073015
9.309398
7.361470
6.193926
7.173838
7.615905
8.602670
6.912818
5.883801
8.118854
8.386319
7.391171
8.283776
5.930555
5.216666
8.198325
8.572970
8.861553
5.388668
7.461119
5.301996
8.771218
7.615055
6.628086
9.015122
7.661321
7.184744
5.436277
6.897015
6.552278
8.747169
7.689886
7.914136
8.008255
6.776650
8.124958
6.321314
8.684790
6.591464
7.735298
7.411191
8.276452
8.802835
6.934126
5.381466
7.236625
6.067522
7.926466
5.193594
7.646306
7.022263
7.667425
6.298242
5.605838
8.270104
8.782083
8.104450
5.526124
5.298822
5.820566
7.064501
8.691870
7.203299
6.224754
5.251823
6.474273
6.086322
7.379818
8.305994
6.567171
6.015885
5.128040
8.618992
6.620762
6.411405
7.117603
7.639958
7.649846
8.734474
6.362697
5.171987
5.589236
5.359371
8.389737
5.534791
5.374630
7.498718
7.344050
8.471282
7.919141
7.058031
8.432707
6.669469
6.365627
5.295404
8.078692
5.778939
5.986709
7.161672
5.160146
8.792459
8.107746
6.193136
6.711463
8.670019
8.428312
6.836222
5.459838
7.081469
6.118183
5.075793
8.572481
7.140065
6.060686
6.243065
6.990402
6.003189
6.619297
8.878277
8.723243
7.216117
7.304010
5.523316
5.478515
6.671911
8.709693
5.319452
8.004471
8.064776
7.103320
5.282952
7.515687
5.709235
8.035844
7.137867
6.582430
6.602451
5.350337
6.576327
8.854595
5.603519
5.965224
7.825144
6.996139
5.604495
6.805460
6.390896
6.206809
8.569552
8.257042
8.860698
6.703772
5.314447
6.519807
8.631687
6.539338
5.906751
5.234245
6.446074
8.129963
6.553499
8.756569
6.605502
5.870983
6.860149
5.456053
5.739753
6.212424
5.329585
7.413266
9.005722
5.570193
6.978683
6.889080
6.613239
7.609729
5.061434
5.817072
7.640614
5.245399
8.439100
6.110660
7.283059
6.445997
6.860195
6.236763
4.749657
5.491379
8.387341
5.623951
7.230323
7.919797
7.825434
8.692160
5.589770
7.513779
7.429304
6.114078
7.305155
6.684286
8.039186
4.916288
8.520157
8.628803
7.521714
6.787927
5.091098
7.636830
5.391034
7.976806
8.501236
5.920103
6.483840
8.146733
6.515580
7.340068
6.563799
5.570360
6.454299
8.410047
4.731956
6.032899
4.958037
4.943999
5.516282
6.821863
6.120060
6.731651
7.514512
7.177465
7.860591
6.608112
5.469039
6.579791
6.418531
8.301035
6.645100
6.246040
6.836024
7.422834
8.388318
7.214087
5.308390
5.988586
5.737968
8.386608
7.278420
6.831507
7.969848
5.911924
7.146214
8.291635
4.942167
5.275307
5.471847
5.552782
6.124088
7.475936
5.545579
7.005097
5.175695
8.664937
5.199744
8.001953
4.960356
6.619831
5.737480
6.394726
7.859981
5.429853
5.854671
6.212592
6.270699
7.766228
6.428297
5.868099
6.153752
6.114444
6.047304
5.259316
6.514847
6.342601
5.160192
8.146977
7.688833
6.979339
6.715903
6.178777
7.304300
7.579333
7.170263
4.938505
4.802759
5.548143
5.735893
6.392163
5.387005
6.805261
5.749199
8.108158
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5.654714
8.029054
5.626514
6.131169
7.245582
6.102115
6.350536
8.558367
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7.172704
5.337199
8.510392
7.318461
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8.517594
6.147771
6.509598
5.629444
5.587085
5.431562
8.172491
5.511521
7.660268
8.174078
7.757073
7.680044
8.498062
6.279244
7.601428
7.014618
5.872494
7.611194
7.115818
5.659597
5.937559
8.639546
8.446303
8.602924
7.148366
8.422452
7.411069
6.938643
8.138264
5.965102
8.117512
5.426756
6.815592
5.355586
8.645970
8.975936
7.874218
6.346828
8.155843
6.532136
5.694342
8.410245
7.185598
5.828867
6.584384
5.330561
7.780465
7.632756
5.015000
8.950179
6.800699
8.578463
7.719794
6.435209
7.285089
7.962233
5.538697
5.442259
6.742103
7.872875
6.878826
7.556337
7.248344
6.032853
8.666723
8.378628
6.224754
6.725501
6.667882
8.637547
8.768044
5.183096
5.049547
6.697668
8.412442
6.811197
7.059618
8.842875
5.195059
8.623630
6.697180
7.706854
7.902173
8.263268
7.252739
5.228263
5.368404
7.984451
6.587313
6.503937
5.708136
6.970382
7.031663
8.914289
8.349086
5.362178
5.775399
8.899152
7.746895
5.373531
7.625431
6.756142
5.654546
8.866558
8.004227
7.836985
6.820719
8.763039
8.067461
8.517914
6.993332
5.667119
5.812387
5.317988
8.102741
7.074511
5.054430
7.542421
5.499145
8.540742
6.144795
7.821238
6.120869
6.187277
8.306482
6.924604
6.465606
7.917676
7.461241
7.224906
5.242790
8.719947
7.425474
7.182302
7.580142
5.429197
8.346156
7.229423
7.659490
8.327723
6.255394
7.428770
6.658483
8.954085
7.617496
7.278985
8.870342
5.499512
8.741310
8.044389
8.879498
5.165151
7.936842
7.982986
8.666845
8.854595
8.288293
6.848186
5.518799
5.577273
6.918500
6.038347
5.617679
5.939100
8.621799
8.770608
8.184286
6.092792
7.738350
6.651524
7.052782
7.523988
8.146077
5.023911
6.548738
8.049516
5.244011
5.459593
6.547517
5.400510
7.804270
5.776131
5.586184
8.767067
7.563906
7.953200
8.907331
7.678289
6.437040
6.320826
# Label of molecule (16)
0.841256
# Number of Instances of molecule (17)
3
10.559752
9.044236
9.562802
10.552179
12.449145
9.074374
11.472414
9.190923
10.486396
8.723816
8.701021
10.029479
9.605591
9.951913
12.504972
10.551462
11.699544
10.986540
11.713687
11.806256
11.777264
8.944643
11.116511
9.520761
9.769709
12.444334
10.400342
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10.893556
11.753983
12.391747
12.057887
12.005095
11.386634
11.712507
10.829101
9.830274
9.710713
9.236670
12.005931
9.959373
10.182746
12.498165
8.836943
9.114641
12.313211
11.347579
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11.786485
11.472915
12.382615
8.340395
9.652741
11.529134
9.431964
10.918864
8.431822
12.455843
9.615510
8.405799
10.091223
12.139238
10.803212
8.839349
10.690069
9.268957
10.573563
9.343287
10.374490
9.991040
12.051294
10.130449
9.864023
9.783360
8.385299
9.067499
10.627042
11.212194
8.709278
10.051548
11.603081
9.281276
9.891764
9.165321
9.603357
9.694909
12.321681
8.365339
11.037788
10.038682
11.082392
11.342461
12.293656
9.190380
11.950360
12.605182
11.685388
10.176501
11.370903
11.725072
8.805270
9.345945
8.748218
11.703535
11.448858
9.360989
9.078420
9.224934
11.500078
9.282614
10.521657
11.139694
8.791823
12.760903
9.569747
10.358991
11.525270
12.184786
12.439032
12.310176
9.734923
10.149348
8.786928
10.128696
9.456060
12.836812
10.836587
10.721261
9.178859
10.414227
11.928364
8.380842
10.089724
9.007174
9.141902
12.192121
10.633597
12.377881
10.002889
11.428795
11.268453
10.065497
8.531352
10.405298
8.673853
10.488890
7.428159
8.985762
11.477429
10.038019
10.097539
10.406441
6.187918
12.428911
10.880067
10.943138
8.335420
11.084032
10.183695
7.184117
7.662688
8.713319
8.218318
6.196917
9.418421
8.544159
6.261788
5.982604
4.984039
6.483474
7.046113
8.672628
7.249489
6.621906
6.865200
4.890896
5.073153
8.570940
7.326640
7.986206
4.797754
5.476241
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7.363140
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6.575030
8.266976
5.955138
6.335276
6.521317
7.212500
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6.082583
8.082522
6.681967
8.626362
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6.075503
7.129002
8.230110
5.620777
6.421339
7.481674
5.674978
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8.191534
6.447462
8.033937
6.951018
6.521195
6.343333
5.639210
6.198309
8.265389
5.824030
8.688742
7.614246
6.271554
5.883114
6.654256
5.433027
8.145390
7.502915
5.372234
5.578906
5.382122
5.327799
6.686972
7.116550
6.742149
7.736808
5.524094
7.537461
5.741630
7.687490
5.269814
7.258278
6.137516
6.710288
6.328684
6.703330
7.277444
8.426038
4.735984
7.349712
5.194128
7.960448
7.701041
6.107608
7.314920
5.634205
6.953215
6.411328
8.664937
7.299539
4.770043
7.396588
7.436506
7.701407
5.558031
6.538896
7.801996
7.236549
7.863887
5.127720
7.841792
6.486526
5.690603
7.951292
8.466689
4.898831
5.993225
6.567339
5.205847
7.991333
7.228858
5.536058
6.738243
5.455000
5.836726
4.986847
6.039735
8.531022
7.522935
6.897916
8.024049
5.035188
6.224555
6.460158
7.549303
8.406751
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7.904050
5.668020
7.154393
8.123417
6.160100
5.993957
7.077364
6.045595
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7.060762
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8.120365
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8.547624
7.831538
7.944823
5.416547
7.248390
7.021577
7.407331
6.708213
8.656392
7.959105
5.909116
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6.042299
5.517380
8.266121
7.069674
4.898953
6.423414
8.165410
7.558580
8.628559
7.391949
6.051698
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5.032991
6.318308
8.298303
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7.807932
7.502625
6.975021
7.414609
5.338984
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7.988479
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6.068499
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7.288995
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5.495239
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6.614414
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7.485046
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6.217429
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5.768319
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5.490356
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7.765206
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8.701392
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6.216330
6.995041
5.389523
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8.573458
6.454375
8.386563
6.748817
8.695288
8.674780
8.609470
6.002945
5.596194
7.314386
5.771126
5.765511
5.327998
7.717841
8.401700
5.978774
6.934980
5.216300
8.829203
8.594089
7.306330
7.357601
6.498810
6.469146
5.303461
8.940413
7.000778
8.758766
7.534242
6.729041
6.185568
8.671850
8.151448
6.722694
6.739296
5.470824
9.049791
6.853435
8.595798
6.588900
8.836039
7.990432
8.558443
5.738044
6.947554
8.122394
6.509186
6.885907
7.294366
8.596164
5.578249
5.973769
7.799875
7.282891
7.648625
8.251671
8.214682
7.551943
7.573183
5.106555
6.579012
5.921155
7.476501
8.256920
8.708838
7.264214
6.518220
5.189566
9.079455
6.446928
7.491882
5.714240
7.483703
5.267571
7.635563
7.509705
7.838450
7.578310
7.027390
6.537385
7.513367
5.459471
5.942274
8.197348
7.559633
7.325739
8.545869
5.100452
8.210898
8.834574
8.296716
5.335078
8.033647
5.476440
8.437468
9.097644
7.100024
7.718940
8.944929
5.567995
8.560396
5.579226
5.316523
7.901685
6.987472
7.504578
6.568392
6.212424
5.870983
8.428312
5.818369
8.424528
8.634251
7.883984
# Label of molecule (17)
0.815763
# Number of Instances of molecule (18)
4
10.359678
8.963856
9.654006
10.459495
12.385693
9.051349
11.227498
9.255047
10.580638
8.899672
8.717844
9.854187
9.358204
9.906556
12.672526
10.724455
11.782164
11.069309
11.593837
11.853769
11.806508
8.830756
10.863399
9.769190
9.717007
12.204489
10.633640
9.941538
10.784088
11.590974
12.503362
12.084886
11.915419
11.331972
11.541526
10.872281
9.935048
9.854071
9.237919
11.751379
10.037077
10.147709
12.654358
8.832889
9.169138
12.440615
11.565498
9.916043
11.839509
11.455719
12.306701
8.291815
9.535206
11.583692
9.375126
10.717251
8.507983
12.337393
9.717725
8.470914
10.273310
12.320743
10.754378
8.709885
10.836869
9.317022
10.519091
9.155890
10.198768
9.909237
12.075431
10.268213
9.871798
10.036907
8.317996
8.929235
10.631772
11.332541
8.790738
10.167571
11.534375
9.466610
9.827236
9.286278
9.442575
9.464611
12.314976
8.540360
11.218662
10.006505
11.277366
11.617722
12.445597
9.183346
11.897919
12.598655
11.688844
10.053239
11.106596
11.965169
9.044018
9.385899
8.738779
12.092830
11.644668
9.054838
8.960650
9.685008
11.705038
9.168964
10.773758
11.358201
9.008952
12.678304
9.330891
10.103368
11.516768
12.116382
11.874877
12.710195
10.222338
9.795284
8.945330
10.058057
9.499939
12.388608
10.987043
11.002054
9.048232
10.049321
11.511182
8.304835
10.187214
8.721492
9.187547
12.625329
11.139334
12.447660
10.352281
11.783177
11.773359
9.767939
7.749784
8.442085
8.372450
9.422008
9.154162
8.305253
10.495168
9.188853
9.378261
8.533687
6.325817
12.655310
7.994750
10.665144
9.276090
9.644384
9.427938
8.025754
7.675184
6.234201
8.357169
5.925681
8.954889
8.569092
7.000046
5.925062
7.383114
6.676794
6.306055
8.388272
6.693030
8.269127
7.501160
7.666082
6.451811
5.955702
7.014817
5.661748
5.228751
5.632939
7.865307
7.450865
6.067888
7.513611
5.396970
6.950117
5.705206
5.167592
7.948561
7.923902
7.404599
6.835856
5.324213
7.699530
5.285272
5.392453
7.946486
4.969710
6.016984
5.331050
5.562014
7.056444
7.756539
5.148427
8.378384
6.009171
6.202048
7.502991
7.504456
6.915448
7.640080
7.520203
5.571535
5.796762
6.858074
7.622623
6.408353
8.465423
5.800668
5.257683
6.646031
7.717231
6.843303
5.899670
6.127705
6.235984
8.555757
7.698798
7.998367
6.582675
5.836070
6.155049
5.348140
7.645940
6.284326
5.190176
5.286493
4.929182
8.694189
6.992233
7.320978
6.048112
7.537049
7.009934
6.914228
6.814127
5.313349
6.469146
5.097888
7.278253
8.645482
4.788919
7.014695
5.112293
5.987930
8.270348
6.265404
5.699957
6.830973
5.433348
5.936048
6.313623
8.269250
5.378536
5.179067
5.753182
4.814676
5.545656
6.224876
4.819559
7.325251
5.246818
6.697668
5.000229
6.926557
7.347346
8.110920
6.740028
5.800180
8.470550
5.417722
6.672887
6.714881
8.100299
8.491180
7.190237
7.173757
4.958357
8.408292
5.719123
6.055193
7.028733
7.414853
5.087634
8.620212
7.605777
5.444456
8.350185
5.760750
5.741218
6.067278
7.449034
5.368038
7.465026
6.742958
5.087268
7.690497
6.152608
8.254357
7.186941
6.559847
6.418485
8.195029
5.308710
8.359584
5.905530
5.386715
6.407010
6.610385
7.349910
8.102008
5.296503
8.048051
7.292657
4.964949
5.204337
8.067461
5.816172
7.409116
5.783334
6.528626
7.926862
7.935774
7.185751
5.406034
6.965407
7.551485
7.386685
5.278222
7.107990
7.674169
5.445952
7.097736
5.185568
5.770913
7.259362
6.854076
8.559572
6.348933
7.171102
5.733314
6.775826
6.469298
7.373501
5.957564
6.304498
5.630650
5.330348
5.178365
7.740333
7.892926
7.599216
8.301386
6.839793
6.119190
6.425596
5.613926
6.768380
8.209708
5.487823
8.093738
6.933790
7.202719
7.163289
4.771249
7.780984
7.118122
7.694067
5.022721
4.922254
6.417417
8.626347
6.666692
7.978378
6.956862
6.897168
4.741096
5.506012
6.306940
7.946028
5.835246
7.386074
5.314356
8.223380
6.850291
6.047411
4.781503
7.473724
7.065508
7.902448
7.137776
5.167135
8.384396
8.367428
4.977554
5.453154
8.633915
5.845012
8.342280
5.014176
6.795358
8.042100
8.616825
8.192007
5.038591
5.997848
6.920972
7.762185
6.436949
5.199728
4.865734
7.733375
5.235130
5.158101
5.553865
6.543031
8.549318
4.818247
6.695379
5.028336
6.369320
5.183004
5.717444
5.544832
4.742805
6.521180
6.740059
6.607852
7.012406
7.536836
5.293970
7.433927
5.983200
7.874859
8.657109
6.753853
7.895245
5.337306
7.680761
6.276177
7.075152
5.185446
5.985885
7.171957
8.142933
4.903211
6.399472
5.959639
6.647526
7.795999
8.508301
6.162770
5.008805
4.800668
5.205832
8.115833
6.637028
5.882488
8.106311
5.294092
5.109027
8.390622
5.699011
5.541658
7.272912
7.751930
8.123035
5.572787
7.157186
5.874554
6.430601
5.121723
5.561068
6.637883
8.221061
5.116230
8.197989
5.842936
5.514069
8.249626
5.269066
4.998795
4.742317
6.325129
5.342189
8.320917
6.709998
8.613865
6.867718
8.854350
5.301386
7.615665
5.458129
8.602023
6.526276
8.679418
6.774941
6.584628
7.920850
7.162893
8.540254
5.656621
7.975295
8.407315
8.300134
5.096179
8.215415
6.874310
8.736427
5.864513
7.713202
8.120930
8.095660
5.638920
6.903485
4.983993
7.610904
5.993667
7.579043
5.351924
5.790048
8.104816
5.941053
6.895795
7.446471
7.352840
5.579226
8.137776
5.347285
7.199759
7.256401
7.229545
6.353298
6.713294
6.372463
5.817515
7.926344
6.115619
6.984176
5.368282
8.878643
8.730323
7.253349
5.329951
8.239952
7.701971
5.200186
6.505280
8.116047
7.865551
7.637028
5.009507
6.414701
7.137867
7.155324
8.190512
7.314753
7.808664
6.043718
5.883557
7.350398
6.104022
8.010086
8.378018
4.989486
6.399197
8.583224
8.469207
7.578555
8.454314
5.069323
6.972091
7.529359
6.048357
8.938826
7.070116
5.622929
5.387692
5.516114
8.875347
5.306879
5.661138
7.851756
5.573733
7.858104
6.120624
5.646245
8.533906
8.288659
6.058123
8.106159
6.747719
5.869030
6.058245
5.602786
7.985916
5.143178
8.897198
5.012680
7.036668
5.310663
8.466643
7.610538
8.407315
5.851451
5.095202
8.393521
8.859844
6.267235
7.644353
5.709601
7.159352
7.815622
8.750954
8.066118
6.407010
7.111255
5.594974
6.991256
8.335047
5.468627
8.565401
6.828043
8.936262
7.863353
6.198141
8.330653
6.806192
7.383724
8.764870
8.941389
5.569948
5.051378
6.882122
8.622288
5.770516
8.883282
7.522401
8.116657
7.592593
6.070208
7.795236
8.514252
7.798044
8.149007
8.879742
6.997726
8.246666
7.040330
6.477935
5.642216
7.378231
# Label of molecule (18)
0.803584
# Number of Instances of molecule (19)
3
10.430770
9.078917
9.678070
10.733547
12.252369
8.919376
11.349198
9.132594
10.546322
8.681410
8.488795
9.964196
9.501966
9.979333
12.732626
10.727961
11.747826
11.113679
11.584679
11.812455
11.738528
8.936462
10.909674
9.689600
9.910332
12.170544
10.612565
9.867261
10.774419
11.606726
12.260306
11.921140
12.244355
11.180642
11.722614
10.832731
10.040464
9.754990
9.148208
11.912181
10.186735
10.239416
12.502296
8.837664
9.287679
12.332161
11.667784
9.916052
11.744019
11.495055
12.294388
8.485870
9.667535
11.526864
9.308383
10.906185
8.314158
12.574075
9.726294
8.640260
10.178735
12.250029
10.858707
8.649689
10.828603
9.252209
10.297880
9.259123
10.216618
10.078980
12.203415
10.232690
9.894065
9.873882
8.539113
8.899103
10.706578
11.340298
8.656733
10.165376
11.657245
9.285732
9.796928
9.400510
9.568230
9.566613
12.022441
8.446553
11.052400
9.952055
11.115654
11.471239
12.257293
9.354523
12.068643
12.588063
11.665741
10.116161
11.099290
11.805324
8.916393
9.388881
8.755787
12.156406
11.430478
9.068135
8.770327
9.448328
11.825240
9.102106
10.714764
11.294243
9.191314
12.483873
9.352610
10.070824
11.210369
12.247205
12.341854
12.163936
9.701666
9.872266
8.677879
9.903520
9.421448
12.673003
11.324054
10.898880
9.523050
9.916033
11.897052
8.599542
10.183948
9.143295
9.071867
12.331575
10.782118
12.609629
10.329817
11.800377
11.447416
9.983479
10.401336
10.440203
8.639128
10.629324
9.946751
8.881598
11.460874
11.463237
10.247142
11.332299
8.673152
12.184500
10.724049
11.340712
8.738073
9.913269
10.942776
8.109987
7.639812
7.439547
9.912983
7.043888
8.705387
6.280187
8.185018
6.027116
8.039384
5.741096
7.197928
8.452605
8.889019
6.380886
7.177297
5.822642
5.924574
7.587954
7.084765
5.192129
8.544160
8.191733
7.050218
5.663945
8.052080
8.641087
6.978683
5.795419
7.137135
5.359004
7.493347
5.620487
6.623936
7.902905
8.589328
7.165578
7.872997
5.803110
7.373348
7.331477
7.203299
5.957533
6.264550
7.017869
8.715430
7.455260
9.031236
6.365383
7.885571
6.704749
8.037553
5.988907
8.309778
7.742378
8.078570
8.079180
7.970901
6.594760
6.173116
5.245842
5.404172
8.571627
8.695288
6.977950
6.136128
7.362484
5.214957
7.596500
7.772042
8.814188
8.425993
5.573977
8.106403
8.261803
7.532777
6.097430
6.632847
8.290124
8.476531
8.746437
7.826609
5.799814
8.368374
8.164876
8.575411
7.252617
5.511475
5.599979
6.134297
8.971908
8.383023
7.182791
8.978744
5.372311
8.951155
6.825724
6.930708
5.995010
7.704657
5.613041
6.934248
8.221763
7.767525
5.558473
6.853069
6.543367
5.474120
5.604373
5.667730
5.259514
6.781777
5.738166
6.446074
7.481506
8.892560
7.101978
6.461211
7.315119
8.461638
5.967788
6.834147
6.099261
7.767525
5.456786
8.074419
7.572817
8.217002
6.873577
7.893384
8.846660
6.561068
8.534883
7.667302
6.056047
7.197806
5.963637
7.922926
7.567202
5.935316
5.326655
7.221488
5.612552
6.590854
7.988357
8.817118
7.233085
5.800546
6.057024
5.462157
7.397763
7.416074
6.798746
6.737587
5.179312
5.860851
5.793344
7.280328
5.859386
7.823801
6.706580
8.284997
5.837901
7.662175
7.556093
6.653844
7.222587
5.891858
7.343196
8.170370
6.972701
6.138203
8.927717
7.972243
8.069536
8.438200
5.463256
6.708045
8.211997
7.498840
5.893323
6.287255
7.634220
6.936689
6.339259
7.622501
5.843272
5.610233
5.844005
6.527863
7.834910
7.791208
7.815256
8.311121
5.796274
7.001633
7.551576
8.449553
8.175985
8.875225
5.324824
6.729286
7.995437
7.416074
7.890820
8.219199
8.278649
7.032273
7.305109
6.455229
8.473479
8.715796
7.919385
6.212302
5.739998
8.748146
6.430815
5.235954
6.981857
8.303064
7.862743
8.310022
5.493042
6.322657
6.348903
9.035508
6.099506
6.042863
5.598025
8.695288
8.665380
7.541444
7.912915
7.580264
5.842540
8.684545
6.638707
6.150410
8.938459
6.847575
6.917158
7.407529
5.773202
7.783273
5.618778
5.853648
8.407682
6.014054
7.331477
6.410916
6.609775
7.122486
7.277276
6.676183
8.941389
8.315271
6.035051
5.888195
7.335261
7.635441
6.942427
5.979019
7.040086
6.198752
9.051744
8.087725
5.807505
5.827158
6.516388
5.909436
8.196371
6.457427
7.282769
7.255303
6.868450
5.696539
5.959365
5.198477
8.753273
8.901471
7.743233
6.181295
5.952528
8.157552
6.274071
8.457732
5.264519
6.529572
8.294763
6.247459
8.197836
5.961928
7.990066
8.975692
7.354183
7.201712
7.880810
6.973434
7.053514
8.120685
5.147816
9.015000
6.074847
8.810282
8.260460
7.064257
6.390652
5.825571
6.783975
5.609256
5.767830
7.952345
7.243339
6.956587
6.110981
7.872143
5.914808
5.860485
7.422788
6.101459
7.423765
8.866070
7.256523
5.579836
8.021073
7.734931
7.536195
5.279656
8.414884
6.334132
8.618381
7.215995
7.031907
6.360256
8.471404
5.228996
6.583407
7.274590
6.846843
# Label of molecule (19)
0.865093
# Number of Instances of molecule (20)
3
10.419469
9.095289
9.670291
10.653086
12.345748
8.861931
11.427803
9.147349
10.498183
8.695983
8.652376
9.908298
9.481515
9.999065
12.760406
10.723610
11.603105
11.065403
11.596517
11.645880
12.025515
9.056573
10.972449
9.702273
9.774112
12.269206
10.481578
9.972067
10.965022
11.801135
12.313079
12.187874
12.069134
11.267510
11.672361
10.902160
9.847077
9.668316
9.228170
11.886975
10.132477
10.243849
12.682490
8.687687
9.292956
12.505992
11.382924
10.013329
11.564347
11.732464
12.477853
8.326971
9.569589
11.657308
9.186173
10.921024
8.391547
12.438642
9.695161
8.478804
10.131004
12.134388
10.884963
8.744459
10.781579
9.503787
10.689481
9.401636
10.066379
9.951432
12.160729
10.177817
9.850863
10.060346
8.528918
8.720736
10.767483
11.554678
8.792068
9.873970
11.675116
9.312454
9.950126
9.250918
9.420522
9.788754
11.895465
8.597538
11.271505
10.165890
11.348052
11.722780
11.991963
9.240701
11.668917
12.784871
11.822951
10.310210
11.303404
11.883456
8.697933
9.608400
8.563173
11.862443
11.483426
9.305830
9.091373
9.497404
11.503295
9.146121
8.561245
11.390961
7.938162
10.322195
8.606092
7.767741
10.776303
10.076881
12.022215
10.205505
8.990620
8.878033
8.019179
9.051732
7.641651
10.437510
9.146944
9.227058
6.892611
7.629628
11.719885
7.920243
7.686223
6.351931
7.375733
11.394281
10.075237
11.870052
10.187019
9.254833
8.863721
7.411179
7.635946
10.205644
8.876037
10.807760
9.085118
7.186236
10.575621
8.655563
8.310372
9.098820
8.399146
9.487466
10.843098
11.084498
10.299729
8.109612
10.133942
7.286388
8.587200
7.173952
8.315008
5.911812
9.310481
7.367156
9.032090
7.011887
7.391659
7.556703
7.979080
9.004868
8.923200
7.463683
6.230125
8.544893
6.613315
7.254204
7.206717
6.475738
8.957991
8.879131
8.356288
8.599094
8.213218
6.999313
5.948134
6.730995
8.767434
5.631230
8.738136
6.281396
6.565340
7.754341
8.372768
6.731849
6.463775
7.253471
8.413785
7.387631
6.390896
6.572787
7.852245
8.776833
7.185965
5.456053
8.991440
6.074358
8.992660
8.146443
5.570681
8.923566
9.083850
6.423734
9.008164
8.031083
5.989151
5.851817
8.633518
6.911054
8.803446
8.612156
7.789865
7.151784
8.549409
8.297815
7.676702
5.581301
6.470122
6.044572
8.810282
7.706854
8.126789
7.371883
5.976333
7.801218
6.174337
9.109607
6.550203
8.014969
8.694189
7.787057
8.058428
6.884320
7.954787
6.856731
8.857891
5.615116
6.477569
6.129170
7.807443
6.512970
7.283135
6.794473
6.806681
7.938551
9.190909
7.403623
8.076373
6.160054
6.049089
8.186605
8.056230
8.480193
6.769936
7.081469
7.795602
8.010819
7.043748
8.848979
5.710334
8.471038
5.607547
6.647740
8.582858
5.384396
7.944655
5.446654
6.677648
8.049394
6.287011
6.647008
8.851909
8.657079
6.799722
7.290826
7.529847
6.933760
8.817240
9.230949
5.422361
8.681982
7.012131
7.635441
5.861705
6.593661
5.366451
6.204855
6.629307
5.712897
5.824229
8.474090
7.150563
5.922010
8.497528
8.575167
8.931990
7.825388
6.302393
6.837077
7.115162
6.407132
6.900922
5.595340
9.023545
6.838054
8.820658
6.588412
5.575442
6.804361
8.630589
5.313837
7.440489
7.735908
6.045671
7.722114
7.811838
7.307794
7.837230
8.619846
7.671941
7.590518
5.514466
7.312616
7.093493
8.881024
6.859111
8.073260
7.242180
9.136647
8.782876
8.226707
6.767434
8.630161
5.544374
9.016526
5.778756
6.639500
6.524873
6.682348
6.797952
6.651708
5.821116
8.375637
6.801492
9.242851
5.456359
8.348537
7.068102
5.669256
8.082781
6.790994
7.705084
5.545595
9.050951
7.692267
7.730354
5.981887
7.722175
6.099567
5.582949
7.558718
7.898083
9.151173
8.940352
8.511383
7.241203
9.257256
8.711951
6.501434
5.564150
5.804636
6.091510
7.348628
7.859996
5.760079
7.535890
6.098468
7.950453
7.546266
8.549959
7.801279
8.626133
6.566988
9.150929
5.376644
8.153462
6.755348
5.887524
5.939650
9.024461
8.520783
7.288934
6.962020
6.823344
5.468810
5.617496
5.644597
7.085925
8.270409
7.802866
6.876568
8.024552
8.053362
6.428556
9.153859
8.997604
5.693182
5.650456
5.835154
6.593844
7.377071
6.918561
9.108570
6.211264
8.816202
5.378842
6.042558
7.000839
8.481475
5.829783
6.100787
8.053728
8.238060
9.108936
5.489929
5.706122
5.752876
5.782907
7.720466
5.835154
9.051317
8.019425
5.752022
9.022385
5.595401
8.511139
9.101489
8.459502
8.263817
9.331843
9.284112
6.471648
6.601535
5.595035
6.969100
5.532655
5.721015
6.794412
6.218223
7.646733
9.225028
8.696936
7.187124
5.973342
8.527863
6.666845
6.661229
6.568941
6.951765
7.294549
5.804025
8.121113
8.969771
9.204154
6.490326
5.548647
6.972884
5.916334
7.600589
5.346248
7.935682
5.641301
6.651097
6.543794
8.355617
8.875408
6.135945
7.159658
7.839488
6.677831
5.953444
6.019974
5.715400
8.503449
9.295343
7.821299
7.041490
# Label of molecule (20)
0.670981
# Number of Instances of molecule (21)
3
10.588494
8.909933
9.681914
10.675249
12.389965
9.093025
11.470746
9.162184
10.290318
8.671635
8.538965
10.018642
9.600685
9.780411
12.749804
10.583973
11.556365
11.214376
11.682553
11.672523
11.812157
8.784501
11.060398
9.590281
9.797407
12.223511
10.495171
10.079163
10.885621
11.837494
12.486160
12.053933
12.207599
11.319608
11.610505
10.663326
9.945055
9.747866
9.233761
11.965400
9.931911
10.443815
12.619023
8.814624
9.112885
12.518412
11.528175
9.823057
11.881594
11.624141
12.242572
8.371454
9.828271
11.866975
9.292103
10.518767
8.473629
12.400582
9.827546
8.530645
9.851962
11.908906
10.957250
8.996186
10.737597
9.267647
10.688943
9.051290
10.057134
9.866111
12.251129
10.232504
9.499930
9.936875
8.144677
9.140831
10.737840
11.140972
8.402378
10.221266
11.867582
9.410384
9.965000
9.450620
9.608224
9.282903
12.050280
8.418464
11.187486
10.030853
11.505210
11.741418
12.196836
9.218979
11.726819
12.355805
11.345531
10.212282
11.444241
11.494396
9.010219
9.169818
8.780135
11.819033
11.590902
9.173150
9.086009
9.281926
11.954000
9.209231
10.643462
11.638600
8.900622
12.332307
9.049317
10.032907
11.626249
11.677712
12.439161
12.208014
9.706273
9.992500
8.665081
10.283993
9.224053
12.666850
11.034279
10.974672
9.443658
10.511113
11.582614
8.736858
10.531074
9.145806
9.176100
12.408270
10.694248
12.566162
10.048466
11.788709
11.480058
9.619331
10.251006
10.306635
8.668690
11.040380
9.602250
8.587413
11.448832
11.021417
10.057341
11.097373
8.505020
12.783282
10.711661
11.417589
10.476747
10.945016
11.613393
8.270487
8.727882
7.618680
8.767203
7.018362
9.247806
8.879983
4.782128
6.095523
7.744255
5.874203
5.722831
5.787530
7.325053
8.466323
6.249947
7.455306
7.382916
4.871120
7.908689
7.149022
6.555010
8.191290
6.847499
5.540452
5.466964
7.187719
7.953368
5.808527
8.581317
7.085421
6.758263
6.831019
6.257881
5.368572
5.496261
6.554399
6.400098
8.445204
7.682852
8.419813
7.061617
5.051912
5.592456
5.717215
7.388897
6.277657
5.010773
4.746361
8.275521
8.078372
5.634083
5.654836
8.101566
6.159368
5.492599
5.832698
4.934721
7.100436
7.772698
4.736106
6.566607
5.596484
6.411328
7.015961
7.760247
7.692495
4.840724
6.825526
8.083499
5.883602
8.254769
6.183782
5.704031
5.959166
7.774407
6.267403
8.519303
7.462996
4.886990
8.508560
5.997620
5.645558
6.533891
8.370861
7.106052
4.784448
7.220679
6.681600
7.697867
6.746178
8.526872
5.392987
4.737205
8.664937
8.388440
8.647969
8.734275
5.614307
6.529008
8.025025
7.765252
8.146489
6.414991
4.839747
6.455641
6.571612
8.107425
8.374645
5.297281
7.857295
8.389416
6.912320
7.677480
5.017365
6.540605
6.451979
7.993286
4.870266
8.136113
5.976745
8.227912
6.038026
5.242103
8.153325
8.361827
5.062654
5.387371
6.335154
5.995422
6.515946
7.681265
6.745445
6.557817
6.974944
6.455397
6.715171
7.475692
4.739769
4.805322
7.850215
5.679128
5.170446
6.403516
5.003815
7.817743
5.513108
7.962035
5.928648
8.563128
5.095492
8.718406
6.482620
8.371471
4.763939
7.320048
8.265877
8.083621
5.437544
6.481887
7.561144
7.734367
5.654347
7.792352
6.454665
6.948576
7.985351
5.043123
7.011689
6.298288
6.189398
6.457228
7.380718
6.460402
8.974151
8.566668
6.597247
7.750603
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8.260384
6.284005
6.092105
8.109378
5.620411
6.857509
6.806970
8.125004
8.191656
6.582110
5.390057
8.954497
5.786431
6.431471
9.002838
5.765679
5.069735
6.938810
7.490341
6.076846
8.102786
8.791284
8.297128
8.797998
8.223273
7.038911
7.655629
5.078646
6.636799
6.798914
8.423963
7.835078
7.094699
6.324168
8.946806
6.830897
8.031373
7.316141
5.314127
8.189337
5.538865
6.353465
7.395001
7.208106
6.551836
7.313700
7.017304
5.355998
5.618580
8.661641
6.673544
8.322520
8.633198
5.480270
7.123386
7.998047
8.902615
8.118778
6.269723
5.258583
6.926359
5.332194
7.684683
8.430189
7.261086
5.789850
7.156713
8.307382
7.845943
5.823298
7.638050
8.603168
7.164159
5.294229
6.964934
8.700827
8.616230
7.453230
8.726218
5.588427
7.477523
8.664937
8.655171
7.845943
7.818598
5.877377
6.920133
8.562761
6.759728
7.707389
6.688803
6.059755
5.438032
5.016877
5.340495
7.291849
8.059328
6.859828
6.701498
6.803308
8.410779
5.666921
8.679952
8.115238
5.210974
5.551927
6.673299
8.415784
5.669851
5.606616
7.124607
5.430708
6.633625
8.064943
7.601794
7.349345
8.693258
7.208350
5.776177
8.678488
8.625996
8.889798
5.673513
8.903226
5.549974
8.547258
7.573962
8.825465
6.164006
5.587573
5.935606
5.458296
8.447645
6.010315
5.716117
8.349986
5.198035
7.149022
5.468184
6.211493
6.778283
8.406018
5.582446
6.725791
8.449477
5.852718
6.055727
6.409619
5.666311
6.573565
8.155522
5.406781
6.707236
8.625874
8.359508
8.084719
6.015076
6.492386
6.942717
8.311289
# Label of molecule (21)
0.803811
# Number of Instances of molecule (22)
4
10.412375
9.088861
9.690539
10.653222
12.535291
9.073564
11.263903
9.268757
10.443843
8.698747
8.660296
10.053686
9.528988
9.820162
12.596857
10.614396
11.754755
10.974711
11.467199
11.528832
11.905978
8.945560
11.108833
9.540900
9.793914
12.122052
10.675037
10.064047
10.850888
11.639197
12.481462
12.106655
11.968636
11.248314
11.490405
10.673253
9.898445
9.744391
9.069916
11.983689
10.016005
10.346667
12.672009
8.730941
9.153740
12.353787
11.591203
10.164194
11.784460
11.640601
12.453530
8.490985
9.628530
11.569276
9.174139
10.827853
8.662781
12.248894
9.563166
8.435540
9.891706
12.105326
10.496724
8.731467
10.723987
9.275829
10.257738
9.507448
10.025046
9.740656
11.811083
10.005414
9.657271
9.773163
8.647676
8.958510
10.201221
11.082387
8.546855
10.193113
11.802702
9.147485
9.858714
8.966119
9.807032
9.254222
11.775586
8.278941
10.944075
9.850149
11.236797
11.749866
12.431843
9.478883
11.755918
12.281643
11.612035
9.964494
11.122807
11.855122
9.095609
9.425775
8.513260
11.898444
11.671412
9.087963
8.912089
9.565544
11.577016
9.355272
10.785407
11.364766
8.869953
12.223618
9.445112
10.356843
11.304087
12.261945
12.325358
12.333319
9.675591
9.856919
8.980528
10.362800
9.100455
12.332377
11.364848
11.004826
9.081552
10.012465
11.987305
8.722482
10.382824
8.782054
9.243925
12.327046
10.952160
12.606014
8.730981
10.418610
8.703907
9.948219
9.447021
9.959686
8.584079
8.282467
8.044404
7.461393
8.915992
9.364782
9.379397
9.749527
7.769929
11.732190
10.490773
10.504060
9.432295
11.153377
9.444038
8.690429
7.552137
7.113740
7.949384
7.728861
9.154774
6.838538
6.865886
7.357234
6.262230
5.422239
6.311670
8.599704
6.348781
7.896802
5.904675
5.601444
7.231986
5.509522
8.201010
8.364101
6.541780
4.918439
4.957015
7.498840
4.873394
5.336421
8.031938
6.779946
5.231071
8.268029
7.843211
7.156911
5.716193
6.642491
6.253685
7.604312
7.330866
5.722785
8.761940
6.181051
8.774148
6.160665
6.873211
6.677404
6.106098
5.577151
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6.220969
5.153554
5.039659
8.440153
5.220084
8.532807
8.814432
8.290124
7.017747
5.164296
7.765450
6.530793
8.630589
8.156209
6.778726
5.798471
5.950331
4.927595
6.583285
7.732978
6.780435
5.451170
8.347011
7.106006
7.083178
8.486541
7.419614
7.129566
7.813303
7.681097
8.600681
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7.712470
5.414182
5.303949
5.284173
5.439817
8.257042
6.997604
5.828379
6.413114
7.924879
5.290521
8.724219
7.735908
5.597537
7.044237
7.544740
8.585910
7.481506
4.880718
5.925794
7.438780
5.488037
5.466796
5.631230
5.503906
6.906171
5.944227
6.798624
5.744392
6.939863
6.884198
5.239494
6.859905
7.989578
8.141316
5.669439
5.604007
7.549745
7.978835
7.742866
6.813028
6.599277
7.844676
7.767159
6.520905
8.359096
7.168996
4.971419
7.535218
7.290826
6.561312
7.206473
8.847880
6.214011
7.780831
4.946272
8.258751
5.415159
8.854595
8.473113
7.583316
5.623661
6.720008
5.113636
7.822825
8.729957
5.765389
7.407651
7.668767
6.120624
8.643773
5.079333
8.720313
6.507111
7.735054
7.690008
8.785501
5.119251
5.632450
6.843547
6.644932
6.143574
7.026292
8.823832
7.651189
8.276330
6.361965
6.534577
5.537965
5.270257
5.645756
5.620731
5.817148
5.678457
6.169927
7.396039
8.800378
7.220130
7.000275
5.589831
6.288095
5.793817
8.047914
8.877529
7.679617
7.433149
7.739311
6.467055
5.324198
6.835475
5.171850
5.738151
8.087222
6.936918
5.902219
6.232429
8.693686
8.789270
6.942167
7.638234
8.222968
6.619404
6.343272
5.641346
6.125980
4.941130
8.740928
7.518479
6.139897
8.598590
8.234443
5.347270
6.477798
6.612201
7.978820
6.709738
8.665853
8.706748
5.862056
8.761071
5.403790
7.392010
5.642689
7.542405
5.825068
8.474807
6.924711
8.409986
6.528947
6.873928
5.341777
5.455916
6.761254
6.616718
8.329051
7.797662
8.120182
5.888913
5.854488
8.607868
5.157933
6.014405
5.487167
6.762963
7.258461
5.240211
7.175939
4.983245
6.161260
8.201117
7.113804
6.339854
5.510605
7.937681
6.064089
5.004486
6.801660
7.346355
7.522019
5.116184
8.101260
4.931730
5.087130
7.640187
5.915769
7.740654
8.421705
7.093783
8.584429
8.348827
7.170202
6.014649
7.568407
8.779138
6.214972
5.046724
7.015778
8.223945
7.642140
8.517533
5.973632
5.446394
8.794153
7.382366
5.624134
8.737266
7.782647
7.412519
7.918149
8.300851
5.837886
8.498856
5.983764
7.946593
5.868648
6.947905
8.681845
6.958769
8.608478
6.645894
7.685842
5.022797
5.721915
6.964629
5.459944
5.079196
7.248573
5.283670
8.510575
6.984161
6.755394
6.006470
8.285714
6.848048
5.577868
5.942015
6.098880
6.930204
7.520066
7.929624
8.451003
6.962065
5.390606
8.580157
5.124607
5.776238
6.751854
8.010804
8.429151
8.114078
8.251778
7.445479
5.966308
5.488388
5.919187
6.558245
5.296609
5.976440
6.794092
6.034806
5.486572
6.237815
7.872631
5.904187
5.732917
6.165792
7.882275
8.749245
5.590823
7.811594
6.269189
6.047136
7.292047
5.475463
7.065233
5.372433
6.395047
7.553652
9.121082
6.141987
8.306848
8.576388
8.560762
8.415494
7.763863
7.988968
8.135334
5.625004
8.650487
5.549684
5.848277
6.110736
7.527772
5.219840
5.231437
6.334376
6.248192
5.421262
7.643010
8.648167
9.031236
7.535829
8.963729
6.494293
5.374508
8.521699
9.067858
5.907727
6.177877
5.522462
8.441740
6.199728
6.450102
6.344142
8.325526
8.695288
5.979141
5.671636
8.753761
8.400845
5.337886
8.905744
8.869854
5.476073
8.599826
7.489929
7.887768
7.386532
6.141255
7.605411
7.078295
6.609409
8.905377
8.108356
7.153371
8.770241
7.499817
5.583743
5.423460
8.083331
7.508728
6.392239
7.104175
8.972884
6.386746
7.582827
7.145192
6.747963
7.317560
6.549837
8.958968
6.208029
7.405576
5.304682
8.421842
7.051439
7.580630
5.242058
5.523927
6.966231
5.587039
6.271508
8.042924
7.272881
7.434996
6.192160
5.614872
7.999100
6.686316
6.184591
6.580721
5.257439
6.952803
6.294458
7.978591
5.803964
8.979232
8.783792
7.061937
7.650822
5.687872
5.223869
8.714698
5.608280
6.559359
5.206656
5.139882
6.632847
6.723060
6.546052
6.197897
5.853404
6.135395
8.848735
8.766213
8.153035
6.217063
6.325465
7.499695
6.179952
5.327509
5.721320
7.362606
7.663884
8.450652
5.236076
8.310144
6.911176
8.464568
8.312952
6.492828
5.355708
6.374416
8.169759
6.359890
8.038285
7.880322
8.946516
8.034989
8.891339
7.655339
7.345882
8.342006
7.703803
6.710974
# Label of molecule (22)
0.747057
# Number of Instances of molecule (23)
5
10.584827
8.892270
9.666311
10.520288
12.422569
9.121321
11.358259
9.296282
10.414010
8.797171
8.573999
10.097546
9.370671
9.923800
12.487696
10.643110
11.717458
11.212783
11.675496
11.801418
11.990002
8.943249
11.057829
9.615628
9.757170
12.264579
10.409719
10.021888
10.883996
11.567591
12.255198
11.922479
12.011849
11.293650
11.686710
10.923164
10.092986
9.705957
8.996107
12.037171
10.148681
10.251069
12.471639
8.938479
9.269281
12.648151
11.474267
10.032993
11.554307
11.503932
12.342447
8.438063
9.570018
11.626464
9.392971
10.571909
8.506949
12.502114
9.675245
8.713546
10.237786
12.343318
10.993456
8.548403
10.779895
9.396004
10.112978
9.470695
10.389649
9.844894
12.356508
10.292595
9.749861
9.976744
8.526711
9.181250
10.473816
11.009507
8.551534
9.840006
11.827866
9.511540
9.930514
9.230318
9.338492
9.607551
12.385020
8.301177
10.905386
9.775303
11.105408
11.492680
12.441058
9.031080
11.917206
12.520628
11.829365
10.312076
11.116469
11.434484
8.995955
9.478584
8.625521
11.692710
11.367318
9.109868
8.658721
9.502526
11.546663
9.229902
10.405098
11.558793
8.929657
12.432623
9.502725
10.359161
11.276485
12.077275
12.206913
12.214504
9.811154
9.963521
8.720585
10.316131
9.132008
12.443591
10.756302
11.029714
9.129654
10.093504
11.386723
8.344817
10.412176
9.086370
9.342168
12.628926
10.610627
9.444677
8.668135
10.101548
11.241908
8.821492
9.030478
8.993385
8.505537
8.144850
8.619831
9.118376
8.642242
9.140029
7.663884
8.381160
6.654411
9.297965
8.275674
10.601245
8.291380
10.081135
9.449751
6.524170
7.590130
6.141829
9.462024
7.077252
6.682931
7.832345
6.277413
7.142308
7.669424
5.589770
6.465407
6.937346
7.270608
7.797235
8.095096
6.226142
5.931089
8.730247
6.901822
6.784387
6.767541
6.273019
7.040254
6.488845
7.353862
7.768059
7.572863
5.950133
8.895535
7.158666
7.421857
7.387677
7.800165
7.564440
6.155095
7.620350
6.023621
6.158513
7.984008
5.051302
6.563433
8.226203
6.346507
6.518998
6.475661
7.277566
8.452406
5.889462
5.790582
6.089785
5.162633
8.268319
8.701682
7.555162
5.581835
7.701895
7.402936
6.206488
5.734062
8.247932
4.949980
5.299966
6.702597
8.287484
7.519028
6.325755
7.602771
5.953917
6.439405
7.824091
8.767724
5.554369
8.375622
8.380749
6.519120
6.858608
6.030702
6.677206
6.899380
5.129063
7.750359
5.471358
7.739250
7.769768
6.398633
8.381359
8.436537
7.465560
5.883114
8.350108
8.821192
5.689871
5.703665
8.664937
8.480850
6.454543
5.898251
7.405377
7.922239
6.175726
8.764183
6.197333
6.944060
7.533555
7.725944
6.145940
5.595508
7.197607
7.727897
7.823481
7.095309
5.295572
7.524400
6.186102
8.087527
6.498733
8.244270
5.297403
7.607166
8.599261
6.602252
7.729240
8.133793
8.454970
5.135899
7.518052
8.103030
5.176794
5.839290
5.552049
7.256935
6.433180
7.570788
8.261727
8.203619
5.745293
5.609302
8.490127
7.562975
8.652120
5.733818
5.418256
8.074343
7.614612
7.201636
6.420850
5.038362
7.540269
6.999115
7.724601
6.471755
5.797174
7.742668
8.748924
8.346690
8.596576
5.601245
4.998932
8.291025
7.617542
8.618549
6.389966
7.125584
6.748741
5.807794
5.875546
5.611499
6.821863
5.396039
5.255531
5.783746
6.213080
8.638279
5.579348
7.638493
7.629582
7.190847
8.247032
8.191855
6.351344
8.176107
6.021500
6.254906
7.082324
7.902539
8.436491
6.221946
5.515137
7.534120
9.207633
6.279931
6.810953
6.814371
5.412595
7.191214
8.165120
8.001297
5.662481
9.224235
5.552980
7.388119
9.140004
5.608646
5.530396
5.785775
7.380062
6.888348
8.963485
7.340510
6.668371
8.547700
7.562929
6.062273
6.931196
8.286096
8.099200
5.440428
6.992599
5.317011
9.170888
6.518708
8.074297
8.064653
5.403317
5.806528
5.411618
6.633580
7.953078
6.402615
7.863720
8.428068
8.189657
7.702704
7.387997
9.293695
5.434202
9.069079
6.259789
6.558016
5.626713
8.836039
7.907178
6.344874
7.798288
6.026261
7.238212
7.536439
9.222648
6.153340
6.336695
6.758583
6.123188
6.483917
7.398618
6.766518
8.809183
6.138203
8.786355
8.601047
8.115802
8.398770
8.075030
5.895520
8.026078
8.607517
5.966445
5.705451
5.345210
7.021897
6.944502
6.236229
7.305963
8.008499
6.548128
7.844554
7.977981
8.946028
9.136830
7.688665
6.357814
8.215781
6.022233
6.401273
7.012131
7.651799
5.843638
9.162099
6.152120
6.827921
7.058885
5.541749
8.011673
8.555147
8.428312
6.496857
6.405057
8.964949
7.366390
6.886395
8.340663
7.553774
6.034562
7.886914
6.562532
6.563875
7.051561
7.682196
5.898083
7.074267
6.696448
6.800333
6.284936
7.177541
7.478210
8.474578
7.352107
5.618656
5.947523
8.402554
5.431516
8.269494
5.626713
6.278954
7.873852
8.812235
6.930342
5.477172
7.544374
9.012192
7.954176
9.253288
6.372585
5.948744
8.005570
7.848827
6.833171
7.583438
7.752266
7.848445
5.670766
9.113742
6.468886
7.772881
5.817377
5.392315
7.342326
7.166051
5.932737
7.823786
5.330668
8.040590
7.572069
7.820490
8.620563
6.294687
5.272439
8.266060
6.346080
6.171026
5.780145
5.407208
8.077700
8.675497
9.017670
8.645466
6.238655
7.332560
8.669515
6.599017
6.327769
6.652486
8.260567
5.817133
7.821100
8.682821
6.599872
6.515152
8.628498
7.021271
8.468581
5.708365
7.979797
5.665883
6.423109
8.120548
8.615925
6.074465
5.592639
7.239418
5.159276
7.810114
5.341899
8.896939
7.539232
6.149174
5.677236
7.746513
6.346812
8.023499
8.269478
9.015351
8.994598
5.674062
7.969176
5.903073
5.556017
5.391461
8.688803
9.007172
5.159520
6.715842
7.527390
6.142094
5.812250
5.473739
9.012177
8.936857
6.528092
8.026063
5.332133
8.577227
8.636189
6.100955
8.440138
9.073580
7.143712
7.588672
5.894650
8.425611
7.028474
8.671590
6.321665
8.062441
5.335307
6.665914
6.366222
8.929167
5.954100
6.948759
9.012787
6.597552
7.950499
7.346232
5.147313
7.776299
6.327158
5.357402
8.236274
8.592730
6.090213
7.590136
5.997803
9.024506
8.494461
6.780908
6.940825
7.853938
6.343394
5.777825
5.645375
8.521439
7.220130
5.857906
8.660970
8.251411
5.520981
6.756005
8.895962
8.827601
6.170660
7.779473
6.375622
5.390973
8.890835
5.384014
7.241493
7.637257
7.898618
8.585650
6.868068
5.786126
7.910947
7.581957
8.971404
7.701102
7.326823
8.962371
6.585345
7.530320
5.465316
8.876186
8.780236
8.247993
8.733482
5.538682
6.997223
6.467788
8.597613
6.447279
8.877651
5.906125
6.235969
7.683401
5.455794
8.757607
7.679327
5.207572
7.856700
7.882946
5.636296
7.672002
5.554750
6.273278
7.591067
6.183676
6.682470
5.213675
7.071154
6.850810
5.793039
8.498932
7.105579
6.275109
8.336207
7.126087
6.996933
8.053850
6.566988
5.698798
7.586917
6.928938
9.136402
7.916639
8.888714
8.961226
5.234062
8.525666
7.961318
6.101276
6.163045
9.105640
6.901105
5.535707
5.217460
9.067186
6.826151
8.179830
6.741554
5.234794
5.726875
8.694983
5.241020
7.392819
8.059832
7.404538
5.427183
7.163686
7.957289
6.482391
8.062883
7.601199
5.930616
8.790933
8.489898
6.866314
8.940229
7.740730
8.710364
7.366329
5.706610
6.550996
5.897900
7.728401
7.140858
7.281976
6.214072
8.985031
7.764657
8.015641
6.803079
8.344386
6.000076
8.560945
6.842753
7.923231
7.199698
7.056017
6.524384
7.813852
7.294549
7.845836
6.837138
6.863384
8.934492
7.005844
9.032762
8.538728
7.995376
7.891247
6.644383
7.251213
6.328700
9.083056
8.935347
8.519929
8.628208
9.108936
8.652623
6.342372
7.288568
6.311609
8.960005
7.154530
9.132008
6.240684
6.425382
7.749397
7.875866
6.943709
8.939375
8.532502
8.218772
6.529633
5.435728
5.488586
5.417539
7.381466
6.295373
6.233360
6.232871
5.392148
7.301019
5.527161
7.115345
6.598605
8.024308
5.623478
7.510498
7.589846
5.516663
8.829752
6.154500
6.062578
6.179769
7.652593
6.238487
5.901440
8.691076
7.905408
5.313776
7.156362
8.858440
6.150716
7.814829
5.294610
7.279778
8.854656
8.074480
6.100421
6.683203
6.625340
5.706366
8.598178
7.819956
6.915754
5.229667
6.374233
6.788919
6.557955
5.810251
# Label of molecule (23)
0.742888
# Number of Instances of molecule (24)
4
10.371964
8.918106
9.674308
10.445933
12.507848
8.940118
11.344053
9.128526
10.475568
8.868903
8.744339
9.990125
9.333198
9.864252
12.455781
10.727029
11.771801
11.220706
11.608633
11.811967
11.952054
8.984016
11.086876
9.611012
9.888885
12.394928
10.498023
9.938437
10.905741
11.756925
12.390656
11.943823
11.973861
11.340076
11.521230
10.706437
9.886064
9.927842
8.900466
12.007669
10.098976
9.992306
12.306279
8.885180
8.913483
12.277411
11.518772
9.847234
11.826399
11.539442
12.120132
8.068179
9.789056
11.493960
9.535222
10.860116
8.628174
12.676382
9.452637
8.231665
10.310655
12.382546
10.972027
8.807160
10.498590
9.247406
10.095618
9.158400
10.065023
9.854567
11.948631
10.060308
9.567910
10.024249
8.467968
9.171475
10.750804
11.246992
8.569142
9.871784
11.780688
9.486496
9.923022
9.189207
9.361517
9.775792
11.776525
8.306949
11.378188
9.885211
10.960609
11.262989
12.616469
9.016711
11.834253
12.668016
11.864030
10.184516
11.419154
11.899401
9.017732
9.192916
9.070435
12.100507
11.565151
8.976853
8.712537
9.620020
11.554330
9.408833
10.845947
11.313739
9.249185
12.557991
9.151885
9.849955
11.614552
12.077530
12.358906
12.332903
10.145977
9.865648
8.688032
10.229650
9.238140
12.374375
11.288336
10.788915
9.095835
10.431251
11.992156
8.814572
10.529145
9.040061
8.956799
11.971928
8.925049
11.822182
9.400787
8.788216
10.252171
8.682392
9.908584
10.813420
8.722187
9.326446
7.252377
7.935211
8.993954
8.644759
10.287131
10.957736
7.205326
10.269631
8.875367
9.399173
9.973360
9.439948
10.524492
7.770338
6.584292
8.212486
9.674405
7.821115
6.670635
8.790054
6.779977
7.440397
8.613529
6.498596
6.465148
5.398587
8.272210
6.978347
8.753059
9.056536
7.538179
8.615238
7.720435
6.696966
6.067797
6.233207
7.138874
7.172567
5.715979
6.856883
8.840831
6.126148
5.790445
8.583621
9.078265
7.359462
5.484161
6.042405
8.749519
7.724830
6.363216
5.813639
5.367092
7.916242
5.784585
5.183737
8.643193
5.532746
6.118336
5.611972
7.567110
8.791757
6.648991
6.282281
6.850414
7.263512
7.032548
9.117328
8.614017
6.006638
5.182394
8.626347
5.191671
7.475433
6.460631
5.966109
6.927564
7.575533
7.048173
8.587161
6.838572
6.244072
8.370479
6.839549
6.020798
6.927808
5.452177
8.917127
5.672765
5.334132
6.076952
5.509796
5.609531
5.831095
7.627049
5.545076
7.146199
5.871014
8.476684
6.387387
8.221549
6.811838
8.816660
7.874859
8.639897
7.512787
5.781777
5.567537
5.305567
7.077715
5.760292
8.580569
7.323328
9.122211
6.755196
5.377956
6.841746
5.939253
5.677648
6.904370
7.513886
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7.444060
6.424863
6.449889
5.732337
6.752510
5.453398
7.536592
6.248955
7.414884
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5.999557
6.239311
6.117481
8.496216
6.082690
6.561464
5.487457
8.828379
7.719092
8.611209
7.338099
5.759804
8.070055
8.276116
6.969314
8.213248
5.805216
8.789438
7.397549
5.726844
6.001389
8.856334
6.390316
7.485076
5.532136
8.428098
7.180868
6.431944
8.825083
8.501831
5.736854
7.847392
5.861126
7.315516
5.459258
7.758889
6.292535
5.319849
8.186026
8.563723
5.549959
5.295923
8.374508
5.237449
8.819956
7.997665
7.340175
5.504181
8.762093
5.691931
6.423399
5.340602
6.845531
5.973434
6.339579
8.389691
7.106082
6.444319
5.854091
9.272774
6.370830
8.519578
7.758324
7.605487
6.254616
8.470260
8.080721
9.024964
5.524369
9.127995
6.218848
8.791192
8.501022
5.664510
7.352916
9.117862
7.233650
6.949095
5.601398
5.399731
5.605548
7.240364
5.794641
5.714438
6.243141
7.591205
7.739036
5.972137
7.105716
8.337809
6.849971
9.088809
8.629322
8.050691
7.026490
6.558214
6.300027
6.321146
7.642109
6.797235
5.533769
5.758873
8.529954
8.639210
5.732749
6.575671
6.832759
8.350993
6.399274
9.129460
5.596515
6.548936
6.177953
5.804651
7.981475
7.387707
7.702780
5.604205
8.963561
8.397015
7.124149
8.825983
6.405255
5.343211
9.190252
7.201300
7.367443
6.488632
6.758415
6.869137
7.538102
8.623951
5.611164
5.560991
7.653951
9.248970
5.451369
5.372021
8.789361
7.277841
5.952971
8.493210
6.386700
6.642323
8.740898
9.278512
8.904599
7.167364
8.175207
6.024018
8.957457
9.096744
5.816248
5.833583
8.823664
7.640645
5.443434
5.942961
8.194494
7.923368
7.503800
8.882626
8.040925
8.703177
7.865139
6.849361
6.472518
9.240547
7.749779
8.666066
8.464034
7.690573
7.722068
8.699637
5.322459
5.393628
8.605884
7.117557
5.773888
5.439405
8.206336
8.853816
6.540025
7.878933
8.712699
6.660634
8.283731
5.960173
7.653829
7.622700
8.795465
5.763512
7.285043
8.505173
7.297983
5.608234
7.278817
7.314707
7.742821
5.608966
7.595477
8.444746
6.972900
7.755882
6.408551
8.782891
7.629536
8.891903
7.959380
6.153172
5.674520
6.964599
9.217231
5.471023
8.405805
6.926267
8.218543
7.981719
8.839167
6.656850
7.807688
8.759987
7.200369
6.729530
4.806131
5.761483
7.184988
7.496399
5.570437
5.198843
6.305567
5.544679
6.781411
5.490112
5.063585
6.626133
5.882458
5.074938
7.337092
6.065569
5.040513
8.352870
4.977767
6.103046
8.598117
6.270653
7.088183
7.320856
7.893017
7.933912
6.852947
5.531129
5.321039
5.615238
4.800516
7.501038
7.514588
5.537965
5.368526
4.886578
7.514222
6.806681
5.649419
7.755074
5.807260
4.861919
5.191397
5.065416
6.108661
5.833384
7.727363
5.487304
7.758614
8.166341
7.710639
5.929579
6.612949
5.896252
8.528657
5.154530
6.300562
5.947645
5.271966
5.854259
7.722724
5.830332
6.933760
6.562166
6.669713
8.110065
6.912152
6.775063
7.429991
6.026872
8.694189
6.662145
6.266137
8.637547
7.592959
8.734107
8.632786
7.855419
7.415830
6.848796
6.012589
7.765206
4.935896
5.927503
8.243858
6.584872
5.044298
5.756722
5.214591
7.651677
7.456725
8.252037
5.800668
5.806284
7.849071
5.556642
7.919141
5.550905
6.299219
8.352138
7.574770
5.354488
5.907239
7.753243
8.774026
8.483734
6.470489
6.166280
6.180441
6.729652
8.088946
6.480987
6.387844
5.410031
5.574343
6.974776
7.685247
8.019120
8.540620
7.302301
8.189047
4.900494
8.046464
4.945906
6.218162
8.319788
8.670385
7.503113
6.785073
6.308741
6.888226
8.183065
6.080096
5.659795
6.631748
5.890637
7.822092
8.442717
4.901227
5.271111
7.352229
8.420133
6.308130
6.089984
5.344111
7.736763
7.422056
5.324458
7.006272
8.256554
5.797617
5.340938
8.652562
5.923719
6.556185
7.532777
7.513245
6.522004
5.396725
8.794900
8.665380
7.206961
# Label of molecule (24)
0.730766
# Number of Instances of molecule (25)
3
10.561856
9.000178
9.718138
10.526976
12.594450
9.000246
11.467258
9.111954
10.549758
8.885965
8.479359
10.085713
9.545686
9.994727
12.424904
10.500919
11.546363
11.125888
11.801358
11.765243
11.832822
8.874666
10.991150
9.537139
9.690504
12.461388
10.507720
10.166462
11.033655
11.824747
12.450902
12.148513
11.917479
11.259032
11.523006
10.807397
9.967639
9.942755
9.257599
11.934696
9.990241
10.197111
12.555468
8.844139
9.179603
12.520507
11.415086
10.193286
11.820997
11.566254
12.364813
8.482069
9.705246
11.504740
9.401661
10.890933
8.458730
12.631578
9.723596
8.394396
10.211700
12.304387
10.929659
8.665677
10.390441
9.363294
10.219330
9.467531
10.260475
10.199406
12.121007
9.778304
9.949098
9.852177
8.435503
8.959570
10.499377
11.180509
8.829871
9.922281
11.740060
9.238499
9.747121
9.416517
9.397351
9.676877
12.375496
8.173599
11.130204
10.057028
11.422673
11.474800
12.006608
9.188766
11.771226
12.603224
11.900272
9.893768
11.252200
12.092069
8.816951
9.501250
7.747516
9.674958
11.074543
8.204200
7.898158
9.078852
11.338501
9.013720
9.323330
8.958173
8.870961
9.481878
9.075551
8.277041
11.325652
8.973040
10.711209
10.162892
9.076699
8.002820
7.231377
8.143428
8.844728
11.270899
9.472316
8.716732
8.306806
8.701550
8.722804
8.291396
9.978052
7.408949
8.027772
10.047306
10.202694
12.314574
8.338151
10.907352
9.067448
8.609777
9.943949
10.324603
8.270167
10.965320
8.083109
7.897914
11.038100
8.886635
8.803331
9.638007
7.107300
12.810959
8.852834
9.606487
11.049985
10.401079
9.788055
8.252537
6.392113
7.832278
9.338800
8.650600
7.150706
6.215923
6.855556
5.715629
7.971313
7.217872
6.792199
6.647176
6.111881
8.467055
6.952605
8.188360
7.894040
6.886441
7.351665
4.927763
5.395306
8.021485
4.851588
5.883480
6.014954
5.677908
4.819605
6.443922
6.283761
6.468215
6.934294
6.487991
7.260475
7.224952
5.514328
7.561510
6.888028
5.156529
6.747642
7.981079
6.687216
6.620319
7.192114
4.744041
8.159917
6.387768
7.926023
5.118564
8.279183
7.276833
8.720847
4.786523
5.439497
8.025880
8.613300
7.418195
5.244179
5.286050
5.250526
6.549760
5.502121
5.605396
7.384259
8.642598
5.811579
5.278848
4.886502
6.194769
5.104770
5.942564
6.666707
7.784783
8.528336
7.783563
6.859828
5.917417
7.033662
8.243049
5.663625
5.551805
7.055757
8.085818
5.200232
6.182440
5.650075
8.712424
6.774621
8.350108
8.467421
6.588092
5.907773
5.458174
5.938292
8.664937
7.517808
7.768426
5.044832
6.669027
5.624317
7.450667
8.052126
6.133000
5.951842
7.563341
7.575549
8.042482
7.806024
7.838008
5.361126
6.977020
7.598132
6.143376
8.148808
7.617298
8.394421
8.505020
7.998657
7.494369
5.861995
6.553301
8.452895
7.856441
6.989349
7.277322
7.907834
8.528336
7.955077
5.958190
5.572558
8.636616
7.519761
7.156102
5.388714
5.078402
6.316843
8.628437
7.285257
6.607013
8.416272
5.051546
5.145177
7.409162
7.536973
6.423414
4.857814
6.049867
6.282785
8.018921
5.831843
5.659597
6.776818
6.776818
7.344462
5.238441
5.068514
4.990753
7.101047
5.952574
7.691153
8.179815
5.381878
6.297555
6.739830
6.013245
6.148991
6.004334
7.850581
7.166356
8.488296
8.562273
7.451643
4.979278
5.879879
5.014252
8.075137
5.654286
7.437056
6.080691
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8.588458
5.012299
8.861660
8.877529
4.973724
5.310770
8.673788
6.800317
5.786737
8.313303
6.492935
8.052431
8.860561
8.043397
5.816401
6.959136
8.228584
5.233741
6.455824
5.607654
5.084933
8.264595
8.134098
6.186895
8.237129
8.750572
6.762230
5.415876
5.925169
8.152409
8.271187
6.431288
8.884976
5.786004
6.872829
5.511460
6.525773
8.605304
8.625813
5.012177
8.103458
5.132298
7.181433
5.886959
6.757469
7.913633
8.583697
7.169347
6.292489
6.871609
7.999329
5.790521
8.576373
5.931883
7.252480
8.108585
5.429548
5.298196
8.039491
6.522477
8.883511
5.750359
5.696890
8.548784
7.679006
5.341288
6.401379
7.732231
7.883969
8.867153
8.672323
7.769219
5.501450
8.485794
8.054994
5.215308
4.946501
7.859432
5.859004
6.155766
7.263833
8.194769
8.825282
6.209967
5.963134
8.556597
8.597858
5.248390
6.347423
6.830958
7.876400
6.194342
6.207526
5.710685
6.122562
5.287576
5.758782
6.079470
7.696463
7.183142
8.695639
8.169622
5.296487
8.261544
6.237800
6.868435
5.581408
5.524522
6.044191
5.547838
5.844844
6.452528
5.867916
6.792016
8.620319
5.196997
5.830317
8.399121
7.090609
8.484695
7.185217
7.031281
8.178167
8.606525
7.451460
5.887692
6.187872
6.869655
7.787530
8.776940
5.881832
8.882900
6.483413
4.961028
7.856990
7.054720
6.444227
7.150670
7.103671
7.677053
6.541398
7.020783
5.618274
5.968871
8.705771
6.627338
5.945799
6.457778
6.638081
6.095218
6.526994
8.070009
8.012146
5.956542
5.725089
7.308634
8.043641
8.510941
7.407392
# Label of molecule (25)
0.645992
# Number of Instances of molecule (26)
4
10.512393
9.000448
9.480676
10.674550
12.460107
8.921135
11.412997
9.270937
10.437287
8.867942
8.486000
9.983850
9.454834
9.941996
12.648565
10.680331
11.684878
11.088229
11.480940
11.713889
11.823476
9.008438
10.856976
9.701427
9.683738
12.445539
10.670561
9.920865
10.823972
11.765035
12.465783
12.077892
11.996365
11.302542
11.465506
10.835112
9.837219
9.803925
9.335921
11.523498
10.192724
10.099785
12.842371
8.696707
9.385426
12.375851
11.122088
10.183420
11.824697
11.778327
12.525883
8.251737
9.475576
11.659850
9.510566
10.608546
8.512700
12.456933
9.690323
8.330502
10.019879
12.476981
10.817118
8.572217
10.513239
9.404865
10.678631
9.323687
10.466890
10.204514
11.973673
9.958275
9.586210
9.956457
8.591390
8.728462
10.400018
11.495789
8.653477
9.675064
11.449132
9.477620
9.634885
9.306650
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10.487573
8.983295
12.808565
10.960295
11.161003
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10.365465
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12.212925
10.583508
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11.253953
9.878847
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7.742866
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8.395474
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6.683264
8.357631
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6.860637
6.063372
8.172933
8.091510
8.804178
7.018479
5.826304
6.019059
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6.443022
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6.115497
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6.539460
6.316431
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6.786660
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5.597171
6.634434
6.090228
5.985366
7.973464
5.544923
# Label of molecule (26)
0.787432
# Number of Instances of molecule (27)
5
10.547572
9.161521
9.673090
10.504958
12.263169
9.034326
11.358452
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8.437101
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6.473540
5.380123
7.831736
7.321833
8.296472
6.584140
6.125629
7.044481
8.023637
5.864879
8.618381
8.188925
8.325404
7.735664
7.690863
5.905164
5.901624
6.271508
6.395657
8.119343
8.562105
6.606235
7.445860
7.237724
7.358211
6.108295
8.762429
6.445219
7.474792
7.778146
6.360012
7.717597
7.782907
5.686773
8.108234
5.508545
6.994430
6.991745
7.631169
7.088916
4.901715
6.318140
6.230369
7.440489
6.078265
8.384243
5.207633
5.579958
7.415098
8.742653
4.958968
7.187551
8.868755
8.514130
5.219230
8.414640
8.794290
4.988998
6.828654
5.746712
7.240043
5.970473
5.398434
6.796548
6.578036
5.734382
5.250237
6.900067
8.845317
6.482696
8.002762
6.394070
7.170583
7.162893
8.183309
5.447874
6.663366
7.529847
6.236351
7.324274
8.137288
5.325312
7.307306
6.944868
6.045549
6.449492
8.172445
7.636906
6.001968
5.998795
8.694189
6.932539
5.262688
8.047685
6.173971
6.299585
5.544191
6.045671
4.979232
5.675298
5.552004
7.708075
7.817331
5.681768
6.595614
6.273095
5.034288
6.393826
6.663732
6.001358
8.312342
5.538942
8.336634
7.792550
5.138539
4.999619
7.908155
6.794473
8.425382
8.497528
7.094165
7.879101
5.650761
7.329768
6.702429
6.860393
5.900525
5.038194
7.637761
7.330622
5.181143
5.880627
6.617832
4.986923
8.382412
5.982070
7.976638
5.327265
8.263390
8.042924
6.926191
6.586703
7.836741
6.473296
5.656743
5.791391
6.526154
7.835520
5.646611
7.805857
8.473235
5.463988
5.557741
7.245781
5.365596
5.140370
8.093097
7.134205
8.166952
8.699194
5.189199
8.174032
8.116657
8.436613
4.920515
8.513886
5.380490
7.200613
5.488403
7.879467
5.724616
5.034410
7.672430
7.949049
7.586001
7.251152
7.116382
6.844523
7.918409
6.810709
5.826670
7.615421
# Label of molecule (27)
0.732265
# Number of Instances of molecule (28)
3
10.538036
8.950581
9.567109
10.728528
12.555643
9.000377
11.433142
9.171489
10.575781
8.688422
8.598639
9.826759
9.361300
9.720520
12.477663
10.625971
11.586474
11.201736
11.463608
11.553543
11.729676
8.787098
10.927041
9.767715
9.667273
12.361380
10.598286
10.055098
10.815760
11.805366
12.263697
12.039923
12.124624
11.329227
11.653593
10.907443
10.005825
9.841407
9.056239
11.898590
9.977171
10.431048
12.410368
8.892863
9.215111
12.442409
11.543868
9.929629
11.674829
11.444035
12.373160
8.268128
9.642194
11.600305
9.295111
10.968634
8.526966
12.498050
9.590752
8.220204
10.046084
12.038548
10.411715
8.473292
10.441192
9.242190
10.491565
9.090105
10.423094
10.167485
12.336254
10.135459
9.907240
10.084795
8.164536
8.941200
10.220590
11.177239
8.676769
10.226236
11.384583
9.164080
9.604659
9.392564
9.724893
9.439763
12.083826
8.327918
10.936755
10.056057
11.112254
11.692597
12.259157
9.118235
11.634926
12.437726
11.859027
10.195223
11.448984
11.919553
9.171645
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8.792278
11.684855
11.237593
9.312068
8.771528
9.602030
11.439058
9.223554
10.503298
11.086544
9.232217
12.338005
9.453949
10.225132
11.665650
11.886179
11.960823
12.513125
10.126914
9.989784
8.900168
9.980769
9.508744
12.481581
10.971933
10.881813
9.220870
10.044425
11.876461
8.773914
10.270075
9.075910
9.541702
12.045602
10.804790
12.857610
10.446854
11.878171
11.302473
9.705929
10.609130
10.442121
8.375218
10.689168
9.897272
8.863226
11.634134
11.623835
10.130194
10.414988
6.448753
9.276849
9.644394
11.417350
9.814697
9.297062
11.135039
8.783682
8.601107
7.900605
8.482754
7.616206
7.083135
7.451660
5.276605
5.288690
7.262505
7.429502
8.317469
6.245628
7.038621
8.649510
8.206992
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7.555361
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6.125752
5.834239
6.131977
5.393063
7.112354
9.021958
6.211570
7.396176
9.171987
7.710273
6.544832
7.193777
6.252342
7.680609
6.427519
6.380886
8.962874
7.664861
5.867809
5.742805
8.909162
6.159688
5.558962
6.472442
6.521027
8.889142
5.530763
7.471618
8.247520
5.289789
7.356136
6.114643
8.993393
8.395962
6.787393
7.847850
5.673589
6.496490
5.697150
7.998733
5.760262
8.941877
6.199362
7.172781
8.695288
6.472686
7.823557
7.610172
8.046098
8.448943
6.620884
7.878246
8.279870
5.350093
9.073473
7.275933
8.027299
6.926557
7.683294
5.322993
7.715522
8.371426
7.116749
7.711127
5.442381
6.893353
7.778634
8.090289
6.968795
9.061754
7.689398
9.066271
5.701666
7.299493
5.544801
7.784005
6.545442
5.901013
5.827403
5.472900
5.495605
6.947676
8.849956
6.326197
6.848796
8.495941
6.601718
9.092639
5.905408
5.415525
7.276177
8.753517
7.039720
5.250725
5.351924
7.661443
9.011460
5.478027
8.104572
5.514039
7.395444
8.540620
7.421567
7.539003
6.002701
9.028306
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8.264855
7.169485
5.382565
7.391415
6.253563
8.787210
6.499786
6.991379
7.168020
5.951064
5.607425
7.814768
6.550325
9.099963
7.789132
8.964949
5.687750
8.523774
7.532289
5.451292
7.937330
9.113147
6.676305
5.639164
8.887921
5.225700
9.131581
9.001938
7.732612
7.545473
6.748207
7.054735
5.227531
7.808420
8.709204
8.342494
7.611270
5.271111
8.819437
6.356594
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7.597110
5.603641
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6.769692
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6.184713
7.321955
7.421567
8.659398
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8.543184
7.965896
6.779580
5.983779
7.815134
6.831828
8.751198
8.784768
9.365963
6.416776
8.132038
7.083422
6.395657
7.623844
7.752144
8.506684
6.705847
7.608463
5.447264
8.707007
7.506409
6.112568
7.660222
8.130207
8.279138
7.758858
6.783609
8.680761
8.569796
5.680914
8.120930
6.660314
7.585879
5.864879
6.338893
8.355922
8.472747
5.576540
9.287225
8.650121
8.145711
9.249382
9.060778
7.030564
7.550966
7.208548
6.178610
9.372921
7.231620
8.607028
6.755776
5.871349
7.073290
5.944716
6.541047
5.494018
7.104419
6.552522
5.698614
9.335566
8.226035
8.408292
8.205527
7.243217
5.746712
7.666814
5.741707
8.092730
6.597201
7.274346
7.948073
8.085528
7.098315
6.043962
6.924604
7.446593
6.161031
5.567507
5.848766
7.893994
6.789346
6.337916
7.583071
9.257561
8.762917
6.458159
9.151601
5.620975
9.375484
6.309839
5.958388
7.363216
7.102344
8.559664
7.623112
5.470824
9.072130
8.874615
9.307733
8.501923
9.218741
6.725013
8.412320
8.570772
5.988296
7.647649
6.511872
6.733070
6.475127
6.344142
6.410062
6.143208
5.862316
5.991958
8.186117
7.360408
9.042833
7.139943
6.108051
6.178121
7.294366
5.565188
6.288720
8.352626
8.885113
8.466155
6.958663
5.603885
8.482391
8.366176
9.230949
7.266045
6.242698
8.103473
8.233848
7.960158
5.455443
8.281823
8.485443
5.666265
# Label of molecule (28)
0.803169
# Number of Instances of molecule (29)
4
10.578727
9.133870
9.552278
10.501114
12.459055
9.012826
11.223604
9.352750
10.286574
8.897672
8.696126
9.820372
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12.547282
10.506823
11.550304
11.067777
11.546882
11.843729
11.787901
8.982518
10.878535
9.675306
9.694328
12.327650
10.686068
9.863674
10.923345
11.696028
12.250857
12.191998
12.018296
11.101314
11.314699
10.481360
10.190027
10.032244
9.305402
11.923285
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10.259948
12.832512
9.031112
9.416610
12.613091
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11.783353
11.496503
12.553227
8.472008
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11.851331
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8.205583
12.110461
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8.705160
10.444349
12.249936
10.581321
8.912509
10.991919
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10.440041
8.957285
10.430867
9.705237
12.337041
9.777984
9.574644
10.079426
8.267413
8.665923
10.305998
11.219700
8.730190
10.108035
11.895691
9.544819
9.624620
9.237895
9.696269
9.760725
12.315877
8.345917
11.010404
10.037985
10.874740
11.744433
12.265344
9.374143
12.021962
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11.690498
10.375112
11.433887
11.465308
8.816569
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9.073156
12.010864
11.537875
9.299045
8.959541
9.635603
11.486269
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10.517606
11.112262
9.049188
12.442683
9.086238
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11.648384
11.692368
11.940091
12.790089
9.728357
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8.718266
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9.082082
12.506544
11.257194
11.166329
9.157115
10.087203
11.738990
8.451690
10.481460
8.938195
9.282723
12.090678
10.801197
12.450836
10.321106
11.675785
11.441739
9.831825
10.504067
10.718614
8.793949
10.992243
9.476481
8.708095
11.942454
11.338028
10.335473
11.310565
8.586451
12.490988
10.700931
11.252601
10.576093
10.851750
11.694952
6.757870
5.821524
7.268528
8.059341
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6.212622
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6.444441
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7.663106
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8.163976
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7.745140
6.885372
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7.938871
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6.788202
5.514115
5.591876
8.854305
5.741661
7.705100
6.469588
7.037355
8.723075
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5.402539
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6.974364
8.673391
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7.635151
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6.500793
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6.782662
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6.767159
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7.016923
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6.138234
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6.200964
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6.345744
7.026673
6.001129
7.214301
7.387158
5.406873
7.153142
6.833308
5.661275
6.069735
7.992401
6.077425
6.910337
7.908536
7.790002
8.325785
5.727683
7.573687
5.199347
5.718284
8.219825
8.838740
5.476699
7.410352
7.878750
7.960051
6.849300
7.004944
8.040620
8.902097
6.408002
6.041047
6.304971
8.306375
7.897549
8.410993
6.290689
8.076266
7.780236
6.581957
8.101291
7.455275
5.948881
6.498947
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5.462661
8.040620
6.812433
6.624073
7.680746
7.905484
7.996673
8.688955
7.170354
5.803125
5.481582
5.513565
8.763298
8.825068
5.924711
5.681539
7.134953
6.868831
5.195685
5.918119
7.282785
5.994659
8.320414
8.112888
6.277383
8.583728
7.133488
6.834895
6.662770
7.178289
9.019288
5.215461
5.879299
8.875484
8.111545
7.072451
8.086032
5.151006
8.330790
7.151799
6.755181
7.987762
5.631489
7.361400
8.416486
7.183660
6.835627
8.872677
5.923734
5.714499
8.427229
7.962859
7.621052
8.026948
8.682363
5.476455
6.780694
6.134434
8.511093
5.777734
5.691549
6.395672
6.384075
7.069765
6.769585
5.844996
6.721366
6.957091
9.066897
8.954100
# Label of molecule (29)
0.797950
# Number of Instances of molecule (30)
4
10.624465
8.972893
9.614129
10.648212
12.544182
8.902353
11.408391
9.128934
10.513330
8.677042
8.662735
9.991670
9.590918
9.804805
12.685163
10.711919
11.768905
11.241618
11.748029
11.530669
12.129210
9.109653
10.668226
9.712865
9.765364
12.232886
10.313810
9.880707
11.098537
11.566877
12.602583
12.346607
11.935760
11.232229
11.749364
10.889570
9.887444
9.921182
8.975813
12.074038
9.869240
10.344539
12.861257
8.504661
8.996728
12.238335
11.730449
9.827139
11.914258
11.688466
12.248441
8.091649
9.476487
11.740050
9.254478
10.848048
8.182211
12.756008
9.385466
8.442245
9.911067
12.333661
10.481751
8.881927
10.722673
9.083034
10.693859
9.527113
9.994161
9.851929
11.718321
9.984706
10.054509
9.609117
8.290466
8.690543
10.267377
11.040515
8.883990
9.931342
11.761555
9.310494
9.902896
9.099851
9.791561
9.265531
11.822521
8.347118
10.779849
9.814658
11.401367
11.674902
12.552266
9.424479
12.216249
12.277393
11.738634
10.092997
11.354528
11.786735
8.843500
9.280824
8.781100
12.251943
11.442245
9.119437
8.956091
9.524769
11.835302
9.366023
10.368320
11.081808
8.886078
12.634264
9.139781
10.073708
11.560443
12.317683
12.366887
12.560371
10.109269
9.494849
8.969489
9.159809
7.204014
9.651856
9.303660
9.281704
6.683892
8.970954
11.814614
8.246493
10.091870
8.743060
8.990765
11.049601
10.803349
11.001820
8.809680
10.394606
9.134809
9.574469
9.913554
9.847217
8.500942
8.680709
7.786892
8.275898
11.568472
10.482122
7.677893
11.663898
7.272490
11.968058
8.258116
11.365881
10.341901
8.725819
10.989829
7.025544
7.429998
5.806104
7.742961
7.563145
9.266631
9.267135
7.759590
7.155934
7.222831
6.910321
7.357234
8.642552
7.558779
6.800333
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5.464232
6.420560
6.977706
8.969100
6.330470
5.787484
6.179098
5.583865
8.595431
8.829203
6.785440
7.695746
6.606113
5.209342
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5.324702
8.264000
7.383602
8.550996
5.341182
5.169179
7.761544
7.478942
6.391385
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8.613010
6.407132
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6.599765
6.591342
8.646458
8.989731
7.841014
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5.324458
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6.309839
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7.066942
6.383206
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8.144978
7.332087
8.442595
7.348811
8.337733
6.926923
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7.158498
5.416135
6.740516
8.067827
8.587374
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8.086383
8.694189
7.947340
5.913587
9.101917
8.085040
6.250145
8.981185
8.165731
9.078112
7.566469
8.100665
6.627110
5.746956
7.232841
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7.036790
8.636326
6.279565
6.854900
7.668645
6.799722
7.885571
8.512909
8.001663
8.581149
8.731300
7.799997
6.537141
7.012009
5.625126
6.767006
6.328516
5.702277
7.778634
8.961653
5.595218
7.097217
7.104297
7.197195
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6.976852
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6.751625
7.555116
9.073229
7.383602
8.871075
6.754921
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5.452391
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8.120930
6.603061
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6.644444
8.985214
7.611270
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8.154256
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6.070208
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7.435484
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6.351955
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7.335139
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6.623356
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7.074664
5.981368
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8.551149
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6.703314
5.932661
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7.040361
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7.047563
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8.542604
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7.427702
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7.742164
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6.438780
7.726295
7.318445
6.800851
6.097461
8.271722
7.704199
6.890332
8.779550
# Label of molecule (30)
0.667970
# Number of Instances of molecule (31)
4
10.482801
8.952107
9.712276
10.702559
12.373863
9.073642
11.463089
9.195655
10.387162
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12.518310
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9.592894
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12.426442
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12.527947
8.928346
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12.330019
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8.987725
10.472639
9.807977
12.257065
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11.365136
8.663073
10.186798
11.784440
9.154972
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9.530632
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11.923994
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11.370626
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11.018145
11.748041
12.216803
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12.412795
11.532680
10.121084
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11.616626
9.027380
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12.107937
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7.574388
12.081802
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7.268120
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8.619114
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7.841746
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7.603580
5.136464
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4.893902
6.001846
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6.175069
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6.854762
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6.892483
6.620991
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5.696158
5.129490
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7.318522
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8.352123
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5.683096
5.427229
6.339488
6.832301
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6.543107
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5.483871
6.574236
4.996551
5.836909
6.683126
6.764306
8.190497
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7.882382
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6.395398
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8.734214
5.538804
6.350475
8.184515
5.099460
5.942259
7.221351
8.711753
6.253182
6.477920
8.435743
5.511460
8.178900
8.111515
7.456832
6.233161
6.995758
8.492019
6.294198
8.621174
5.387921
4.983734
7.320231
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5.848994
5.264992
8.545122
7.855281
5.951048
8.267525
7.015534
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5.358135
6.854640
6.820704
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7.219398
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5.299905
5.908078
5.290262
7.221595
6.287118
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8.461989
8.443068
7.826716
7.186316
7.408856
7.806085
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7.273598
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5.612293
5.968627
7.191321
6.734642
6.489761
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5.175024
5.658071
8.546098
8.519974
6.196783
5.561510
5.426130
7.745537
8.161931
5.507797
5.596667
5.079562
8.854213
6.944487
6.301401
6.524796
6.122929
8.338206
5.947752
7.451704
5.187109
7.582568
7.798517
7.159825
4.931364
6.554094
5.840815
5.023164
5.070162
6.191900
5.713248
5.597156
6.053224
6.475967
7.559618
6.061769
7.588549
7.677908
7.688894
5.374859
5.657338
7.261757
5.914914
8.512528
5.896847
8.806482
7.449995
5.168920
5.224464
5.328471
6.228767
8.294137
7.579516
5.376324
6.536882
7.840388
5.656850
8.274606
5.818842
5.096652
6.508927
8.890957
7.540696
6.982452
8.887661
6.301401
6.982574
5.678091
6.205817
8.730064
6.836573
6.966826
6.989532
5.135105
5.482162
8.661092
6.698141
7.821711
6.819117
8.491165
6.785546
8.448927
6.528092
6.829493
6.880398
7.814386
7.636402
7.625538
5.956908
5.784173
8.264229
6.926420
6.373547
7.748466
6.424085
8.359569
8.653645
5.973388
8.751793
6.949858
6.883572
8.228462
8.039979
8.649129
8.602985
8.060976
8.453810
6.950102
5.061495
5.094455
7.298624
7.963073
7.719291
5.725822
8.219794
5.326640
8.862636
8.594806
6.705344
8.330760
6.213507
5.202979
6.769555
8.624958
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8.056581
5.690664
8.888028
8.202094
8.705649
5.678213
6.833155
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6.059084
5.345195
5.924680
6.816797
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6.179693
8.666097
6.104617
8.653035
6.431410
8.813807
7.560717
7.552904
7.428999
5.173315
# Label of molecule (31)
0.646911
# Number of Instances of molecule (32)
3
10.532651
9.013419
9.690966
10.703830
12.491107
8.963230
11.460282
9.231617
10.481606
8.713663
8.717649
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9.903281
12.698960
10.708229
11.718431
10.955411
11.573991
11.723597
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8.789210
10.957572
9.694298
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12.311436
10.482014
10.074884
11.052696
11.803932
12.478309
11.936382
12.020706
11.289048
11.442496
10.811707
10.086367
9.728658
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11.724744
10.196455
10.201087
12.594738
8.929058
9.268125
12.546764
11.341451
10.110719
11.793337
11.491288
12.509544
8.463555
9.595085
11.569441
9.427413
10.710853
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12.513867
9.684449
8.439890
10.054703
12.107154
11.037000
8.467022
10.427131
9.189257
10.574219
9.276960
10.592951
9.786423
11.820913
9.974540
9.587317
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8.428097
8.705266
10.244409
11.414014
8.552895
10.263076
11.695327
9.110516
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9.326594
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9.383017
11.786220
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11.041171
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11.491114
11.170617
12.015433
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12.140613
12.480310
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10.009773
11.339532
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9.073410
10.644930
11.311534
8.958991
12.834853
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9.832203
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12.108050
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12.789062
10.052269
9.992236
8.761899
9.908287
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12.825776
11.037469
11.098001
9.186410
10.128899
11.970399
8.767774
10.555289
7.836623
9.203922
12.134029
10.631024
11.076090
8.766223
10.207374
11.590023
7.533007
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10.765372
8.664663
9.340464
7.202180
7.904648
11.680588
11.429853
10.011971
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7.112401
10.622944
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10.422700
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6.105408
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8.331309
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6.165227
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6.999847
8.203986
6.293649
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8.256233
5.489059
5.385052
4.993805
6.522172
7.758782
5.070833
6.224189
7.109104
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6.670614
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4.983917
8.548112
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8.744530
6.762658
7.971557
6.751915
7.324808
7.507065
8.918241
8.767113
7.434553
5.589770
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7.468368
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6.207709
8.952788
8.449721
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6.759850
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7.309915
5.197180
7.654775
6.429395
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5.459395
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6.295236
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5.068636
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6.920866
7.518052
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6.498856
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4.981841
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6.273019
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5.580126
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6.816004
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8.142827
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5.855647
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5.336711
6.962615
7.423322
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7.076388
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8.910062
6.379711
6.453932
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6.715537
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5.693533
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7.891964
6.150456
7.001679
8.000000
5.719535
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6.587237
4.928007
6.461501
4.851833
5.446455
6.963347
8.001099
5.600879
7.678823
6.400342
5.884457
6.208930
6.651204
6.283761
5.246132
6.305734
7.903195
7.386334
6.663533
8.332896
6.670003
8.460219
6.816736
5.697439
7.897946
6.137394
4.828028
6.012268
6.626301
6.852504
7.156102
4.795923
8.612568
5.164708
5.919004
7.010102
5.072909
4.853053
7.523667
7.806269
5.417890
5.160192
6.472732
5.859920
5.851497
8.559343
5.228675
8.664937
5.715873
8.419202
7.005463
7.163427
5.451216
4.944243
6.365673
7.087619
6.048402
7.761345
8.497818
6.386792
7.868892
5.530198
6.047670
6.115665
8.706687
4.953398
8.379406
8.158330
6.967620
7.559069
8.141606
7.163060
5.840876
6.631184
8.012696
6.064150
8.337291
8.665181
8.501724
6.562944
7.069796
5.720267
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7.946287
6.652425
7.046602
5.704642
5.614917
6.589312
8.359386
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6.698813
6.532914
7.137425
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6.131901
5.782769
6.320627
5.216468
8.564959
6.902799
6.779260
7.463240
7.486801
7.329691
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6.097110
6.933805
4.849391
5.893612
8.392346
5.158971
4.815332
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6.983367
8.653096
4.879910
6.782556
7.840205
5.239051
7.533677
7.748039
8.297494
7.153783
# Label of molecule (32)
0.750968
# Number of Instances of molecule (33)
5
10.602045
9.028343
9.675426
10.625514
12.446315
8.918417
11.246778
9.146144
10.289665
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12.201832
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10.990038
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8.667349
10.404682
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12.854701
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6.299737
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12.228624
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10.345333
10.130764
11.912494
10.536525
10.194290
10.152316
7.970608
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7.093424
11.402166
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10.281262
11.350602
8.165347
11.735455
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10.538619
6.862768
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7.009323
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5.470214
7.175954
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8.733375
5.755867
8.846049
6.087298
5.477538
8.181600
8.826518
5.354610
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8.001785
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5.998917
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6.454863
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6.906049
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6.030045
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6.577303
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8.300501
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6.377224
5.600833
5.282586
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6.283227
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6.271020
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5.182241
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6.396878
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5.841563
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7.504334
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6.359966
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8.556078
6.771233
6.091159
6.438948
8.485763
7.777123
6.807978
8.410443
5.452956
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6.483993
7.716330
9.029603
7.524430
7.199469
6.053682
5.726890
6.300638
5.470901
5.687094
8.534104
6.302469
6.551134
8.428999
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8.278848
6.659902
6.958861
7.127323
8.700247
8.017731
7.851466
6.769646
5.533891
5.560991
7.691427
5.382031
6.042085
6.210425
5.649373
7.024171
6.979003
7.570452
5.893399
8.675588
7.560686
8.931700
9.211615
6.345317
5.583575
5.455031
7.219977
7.048097
9.067690
6.408795
6.533067
6.521836
5.795129
8.336711
8.268471
6.563585
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8.029206
6.263161
7.857204
8.461104
6.176366
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8.167882
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6.573840
7.252083
5.779382
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5.759117
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6.048433
6.442122
5.952605
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6.950560
6.575671
6.177953
7.100833
5.493973
9.130070
8.437910
7.189581
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7.015503
5.818323
7.262703
8.253945
6.075411
5.399121
5.763512
7.012940
8.235511
8.842708
6.668813
5.396680
6.677358
7.537858
6.439924
5.382031
7.410535
7.174322
8.808649
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5.617267
6.620716
6.775262
6.674306
7.146855
5.982513
9.192328
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7.531632
8.715384
7.307993
5.861538
6.903439
8.666677
6.647816
5.657918
9.182684
6.923704
7.605243
7.306284
7.914701
5.339915
8.118564
7.497452
7.131474
5.616779
7.809839
5.369945
7.611103
8.814875
6.958617
5.940275
6.909299
8.169347
# Label of molecule (33)
0.729214
# Number of Instances of molecule (34)
4
10.610403
9.062117
9.703489
10.733770
12.350248
9.012948
11.374854
9.281731
10.585975
8.852090
8.698548
9.877518
9.397855
9.786063
12.553595
10.479692
11.708967
11.071212
11.677327
11.827375
11.973727
8.914022
10.855781
9.703730
9.833397
12.397800
10.553999
9.923751
10.810450
11.768966
12.351555
12.166477
12.133991
11.303934
11.474921
10.968302
9.857457
9.880615
9.258830
11.973042
10.098551
10.214996
12.611678
8.734213
9.278749
12.397332
11.530502
10.067497
11.858042
11.485053
12.639092
8.299034
9.633926
11.498353
9.265236
10.904085
8.447972
12.539218
9.648311
8.389858
10.158564
12.571653
10.928384
8.533137
10.846883
9.211320
10.187259
9.022006
10.044280
9.857823
12.140155
9.997093
9.649025
9.953020
8.448927
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10.783872
11.427396
8.554545
9.768828
11.698664
9.244453
9.688322
9.486657
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11.781308
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10.918001
10.226548
11.271492
11.417593
12.282325
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12.734136
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10.965944
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11.963103
11.792690
9.254637
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10.427823
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10.038712
11.743979
11.665199
12.092747
12.564567
10.103674
10.280800
8.794211
10.287488
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12.844651
10.805183
10.844967
9.385797
10.057387
11.984973
8.818411
10.222505
7.350760
9.436780
10.057709
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10.175105
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9.289378
9.607567
8.138342
8.150747
10.204385
6.471108
8.013254
8.538100
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8.789086
6.627120
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8.708471
10.252057
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11.312034
9.056785
7.663897
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6.230381
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7.411069
5.536988
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6.694372
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6.843059
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7.922559
6.728675
4.931501
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6.049211
4.841166
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4.820780
6.481231
5.063952
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6.538606
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6.476348
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6.756874
8.184408
8.695288
6.180197
6.697424
7.202567
5.343501
7.185354
6.774819
4.916364
8.235679
5.731208
7.990555
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5.131458
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5.339473
7.541444
8.359096
6.126850
5.923231
8.036210
6.141743
5.932508
5.287591
7.446715
8.471648
7.445128
6.854900
4.997787
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4.843974
5.853648
7.422178
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8.247520
6.849528
6.063128
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5.281243
5.892590
5.251701
5.499390
6.357082
5.158071
8.331385
6.541902
7.037034
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5.705573
8.008744
6.860027
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7.285943
5.141835
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7.152760
6.514801
6.716712
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6.141377
6.923139
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5.233024
8.408414
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7.023850
6.140522
5.727546
5.765267
6.797769
6.851604
5.290643
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6.904828
8.714820
8.482757
5.893078
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4.949934
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6.406934
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7.319193
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7.286355
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6.478103
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9.243202
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6.292795
6.185369
8.063112
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9.261147
7.217505
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9.438398
8.609394
7.311136
6.913053
6.322459
8.666158
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5.831965
6.256417
9.175573
6.677694
6.550981
8.161016
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6.860195
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7.332377
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7.606311
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7.753288
9.353435
7.156835
7.131321
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6.372753
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5.905576
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6.400464
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6.495437
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6.206610
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7.446272
8.365368
5.640797
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7.734245
7.639027
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8.513321
7.926023
7.532334
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7.830317
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6.331248
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5.843806
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7.746941
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6.871914
8.294809
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6.263741
6.817225
8.337657
8.345958
8.102664
6.218696
6.617023
9.049593
6.965056
9.009308
6.460036
7.787225
# Label of molecule (34)
0.743005
# Number of Instances of molecule (35)
4
10.657521
9.008377
9.486129
10.503890
12.397175
8.970313
11.454649
9.315849
10.468974
8.897097
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12.422847
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10.981482
11.565962
11.640200
11.869332
8.977393
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9.530229
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12.342799
10.414756
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12.240116
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10.912513
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12.239609
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10.721297
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12.264149
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11.994610
10.904855
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10.636193
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10.685794
9.323011
10.223191
10.052452
11.947908
10.097263
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8.645770
8.888124
10.533084
11.459521
8.710353
9.923813
11.688238
9.124046
9.871531
9.053381
9.720599
9.739813
12.101785
8.606229
11.132912
10.132005
11.284639
11.208919
12.561049
9.339544
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11.418468
11.696376
9.111312
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8.903561
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12.583091
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12.839448
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7.794957
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11.113837
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6.837107
6.839305
8.383663
8.626347
5.654698
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5.550813
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7.630711
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7.104450
7.830058
5.865886
7.665136
5.550203
7.956282
7.013749
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6.167898
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8.614994
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6.244346
8.384915
7.800180
5.871410
5.487487
7.287835
5.958083
6.034013
9.092578
6.872539
9.011155
7.576052
6.939924
9.156423
8.870037
7.684332
6.254479
6.914411
6.983993
7.084704
8.053362
8.840983
8.206931
7.761849
7.899792
5.922193
6.656224
5.827830
7.836436
8.394681
9.439268
7.914563
8.373074
8.664830
6.120930
9.463927
7.403439
7.563845
5.810129
7.291742
6.928571
7.314814
5.736518
8.800943
6.457610
8.584262
9.195608
6.216147
7.964980
6.995590
8.735633
6.219077
7.276238
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8.462432
7.355708
8.759072
8.828166
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6.194174
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6.395230
6.700293
6.477630
8.344264
7.709357
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7.955580
6.941633
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6.009842
6.723243
6.313440
7.075793
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8.803507
8.232810
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9.071825
6.106403
8.380032
6.661718
5.920850
8.679601
8.283837
7.199698
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6.440641
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6.534272
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7.682134
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5.544618
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8.295068
8.407498
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7.042833
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6.707251
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9.351009
6.343959
6.522065
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4.916608
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5.590701
5.301508
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6.240135
4.987411
5.546388
5.801157
6.719031
6.481597
5.694220
7.556215
6.401395
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5.052232
7.289361
6.016007
8.274499
6.090960
6.013321
5.883557
6.266503
6.339381
6.867473
6.746986
6.038591
7.242851
7.773019
7.499084
5.760628
5.355098
8.706519
8.184408
5.440306
5.242668
5.464721
8.648289
5.011216
7.474059
7.797311
7.211356
4.977889
7.071093
5.780526
5.740242
8.488861
7.794870
6.309961
5.493774
5.715217
7.643864
7.583438
8.115802
7.409238
4.936995
5.452879
6.152364
8.516449
8.358730
7.517273
5.468017
8.718604
8.338466
8.832987
7.934156
6.780435
5.142323
5.116199
8.765969
7.577212
7.051073
5.313715
4.884136
6.675329
5.996963
7.413755
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7.344295
8.039018
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7.518250
6.872356
6.047258
5.052232
7.476867
7.062181
7.974685
4.976058
5.493774
5.780770
8.087725
7.892651
8.498505
8.440397
6.535676
6.906537
7.782662
8.281945
8.628636
8.123005
7.025559
6.340358
5.202139
5.654057
8.342128
7.963576
5.443724
6.868816
6.729408
6.760170
7.553407
5.759774
5.287225
8.854595
6.616977
8.301843
5.587039
8.318201
5.064318
7.678411
5.563112
6.658849
5.088855
5.249382
7.303888
7.237602
8.403165
7.137501
7.115650
5.490478
6.704260
8.304529
6.235008
5.831187
8.227378
5.997085
6.564486
6.107074
7.758126
6.433866
5.807260
8.485565
5.481567
6.608921
8.374477
5.644780
6.043107
7.088794
# Label of molecule (35)
0.746000
# Number of Instances of molecule (36)
4
10.606986
8.972788
9.458893
10.720946
12.343655
8.994732
11.391846
9.178091
10.369989
8.877177
8.617334
10.049710
9.432115
9.815259
12.712473
10.533459
11.749056
11.259096
11.598834
11.706205
11.756494
8.963299
11.146046
9.661098
10.013920
12.258106
10.289467
9.730004
10.838944
11.390975
12.381881
12.050408
12.342637
11.486464
11.522710
10.830462
9.786013
9.747297
9.250289
11.667566
9.810056
10.115044
12.735327
8.664109
9.137189
12.461157
11.337851
10.288366
11.304876
11.832206
12.492235
8.269602
9.667219
11.588607
9.067726
10.604504
8.553509
12.439439
9.439290
8.702571
10.326651
11.982502
10.572844
8.927826
10.941482
9.187774
10.143186
9.520072
9.988068
10.250392
11.785489
10.332034
9.754584
10.086226
8.240816
9.153071
10.282760
11.529843
8.872200
10.068523
11.586232
9.513162
9.620139
9.336548
9.519545
9.397067
11.880176
8.504173
10.951176
9.946746
11.346154
11.400738
12.058264
9.489735
11.716909
12.551923
11.307960
10.217598
11.393986
12.057750
8.859551
9.604959
8.628639
12.182423
11.399250
8.930647
9.086423
9.462149
11.401497
9.019584
10.766499
11.292817
8.818803
12.382980
9.256561
10.111097
11.468190
12.223747
12.271955
12.239854
9.881994
10.157606
8.713404
9.997294
9.025272
12.274461
10.860947
11.001084
9.306513
10.210281
11.573537
8.595754
10.386452
8.823306
9.477746
12.620331
9.316651
9.407104
7.797473
11.738308
11.087750
10.069026
9.756418
10.592552
6.569732
8.891578
8.319936
6.407302
11.679030
11.298059
9.450577
11.046668
7.263903
12.798115
9.754618
10.499950
9.519294
10.470323
11.924658
8.353407
6.101578
8.942146
7.405445
6.423231
9.233770
8.001352
5.703406
5.011612
7.284997
6.821604
8.065294
5.783609
5.871868
6.642155
6.240532
7.927595
5.873211
6.396786
6.387631
7.350063
7.400601
4.900281
7.854839
5.798379
6.552431
6.372372
8.601444
8.042711
5.410672
6.209159
5.486969
7.578829
7.090777
7.714454
5.301538
7.232994
6.721381
7.168294
8.413816
7.037187
7.229209
6.605411
4.910779
5.754433
6.803415
7.679785
5.106220
8.427732
6.914869
5.990768
8.289056
6.325251
7.764138
7.244469
7.590182
5.662511
8.035875
8.626347
6.842112
7.469451
7.831278
6.759468
7.304407
6.983352
7.655858
7.624607
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6.939039
6.337336
7.814798
6.460997
5.132954
6.747749
6.502014
4.985733
6.636052
8.204825
5.489776
4.904309
5.028214
6.428892
8.725715
8.104968
7.034257
7.929304
6.650822
6.470519
4.930433
7.694922
4.760140
6.174856
7.101276
5.064714
5.747841
4.846446
7.118610
6.653874
8.614750
5.474273
5.720008
7.207724
6.110767
4.930067
6.060228
5.261620
7.889508
4.984390
8.610843
8.481323
6.747017
7.688452
6.083789
5.555208
7.323206
6.998611
4.753304
7.520112
6.638005
6.518250
8.550783
7.387661
5.839396
7.231651
8.308466
4.954115
6.536439
7.104816
8.526856
5.662145
7.093829
8.428953
6.039842
8.393674
8.262566
6.780953
4.954237
7.066851
7.520722
5.475982
6.236503
4.912976
7.501312
5.387356
8.323847
6.308527
5.880047
6.008225
5.133686
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8.099597
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5.846355
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6.304498
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5.536851
5.515732
8.519974
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6.597552
6.281259
6.402844
9.018525
6.764916
8.415479
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6.338267
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6.569231
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8.882778
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5.284646
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7.277139
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7.802911
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7.450972
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8.351634
6.596576
6.395154
7.496628
6.536882
8.058657
5.213721
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6.052858
7.771416
7.912168
6.810327
6.996246
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9.040376
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6.704611
5.998291
5.316263
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6.321665
6.893338
5.281594
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6.627094
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5.432844
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6.406140
8.962737
5.468978
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8.221747
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6.321970
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6.605548
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7.925657
8.463027
5.597339
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6.821619
5.362590
6.280343
7.675771
7.433821
7.946776
7.366070
7.585925
6.541337
7.896481
6.073305
6.275338
8.486221
7.003143
5.727226
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8.810327
6.569903
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7.552232
5.099887
7.577258
5.546556
6.922941
5.445601
7.121921
8.414319
5.612232
6.395093
5.504563
8.507706
7.321146
6.272408
8.340220
5.575976
6.387524
5.741142
6.067568
7.243263
6.009949
5.482223
7.232398
6.073794
6.682577
8.866482
7.917478
8.818873
6.216498
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5.698294
6.715415
6.721274
5.467696
8.495743
5.717582
5.923154
8.306284
6.701865
5.530442
8.193854
8.319224
6.956145
6.324656
8.664937
8.371471
7.942625
8.005371
5.803766
7.882076
8.587176
4.911039
7.825312
4.940092
5.027741
8.817286
8.314463
6.414136
6.733238
7.118870
8.434462
7.927976
8.144658
5.068636
5.096225
7.578845
6.216620
6.944670
6.464675
7.273415
8.231208
5.021882
6.173528
5.554613
8.259774
7.224708
5.628712
7.797357
8.649434
8.333140
7.771111
5.644704
4.906766
7.619007
7.675649
7.562609
6.356151
5.786920
7.361431
8.386120
6.945402
8.095340
8.187872
7.732780
6.575518
6.530839
8.211432
5.158727
5.328898
7.914304
5.878353
5.931822
6.970550
8.809473
5.429121
5.295816
6.098086
8.113163
5.387371
5.103793
7.315165
6.198798
5.511155
6.692099
6.802820
5.490524
5.579272
5.872005
8.665670
5.341227
7.389019
5.913877
6.424268
# Label of molecule (36)
0.736638
# Number of Instances of molecule (37)
3
10.581651
9.000343
9.750299
10.532112
12.259634
9.053448
11.347165
9.328158
10.455842
8.739531
8.593091
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9.422033
9.727644
12.443680
10.622456
11.771470
11.162765
11.570183
11.717793
11.746383
8.870848
11.003398
9.681006
9.860387
11.914628
10.416422
10.100970
11.109573
11.752822
12.611309
12.306682
11.831364
10.990489
11.404882
11.064927
10.055064
9.869033
9.278364
11.985638
10.013765
10.482765
12.282278
8.537464
9.266796
12.246446
11.113301
10.297955
11.475339
11.773909
12.556248
8.081469
9.690172
11.749626
9.326931
11.096996
8.253498
12.563267
9.808784
8.371979
10.199234
11.875055
10.835623
8.616471
10.838784
9.334747
10.213223
9.358074
10.042752
9.929148
11.972141
9.903098
9.505722
9.973493
8.203086
9.087216
10.755119
11.265999
8.778542
10.104916
11.884435
9.327802
9.510125
9.007461
9.444381
9.605155
11.836166
8.172714
11.279327
9.750621
11.052941
11.694709
12.345035
8.956943
11.623919
12.508859
11.673684
10.215487
10.837177
11.519256
8.940845
9.331057
8.779877
12.017806
11.251643
8.960534
8.815427
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11.615433
9.251934
10.501242
11.525380
8.941233
12.273787
9.027250
9.828528
11.200158
11.844015
12.254154
12.295579
10.105987
10.054473
7.773270
9.816439
9.103254
10.379484
11.106605
11.038691
7.251013
9.842270
8.693344
6.191072
7.726517
6.856325
6.702209
10.598622
9.390405
9.557396
9.136035
8.894773
11.377554
9.891855
10.205268
9.614724
8.040924
9.278961
9.369291
6.480861
10.766115
10.859869
9.029460
10.530070
6.856498
10.350176
9.076988
9.419411
8.182557
9.971223
9.802285
7.061707
8.579138
7.912427
9.998318
6.133906
9.657042
9.420181
6.703757
7.605029
6.205084
7.529099
5.865963
6.176641
5.704215
7.726249
7.580248
7.794855
8.877529
7.372845
6.043703
8.389966
6.445448
6.696554
7.509812
7.297769
5.092624
5.423322
7.905942
4.942717
7.175695
6.253304
5.976073
8.575762
8.393017
8.078799
6.321665
4.941252
6.789697
6.819727
8.714682
8.750206
6.474502
7.751885
6.060427
5.831050
5.421613
7.200964
7.383953
7.836970
6.734153
7.480148
8.213202
5.381329
6.742698
6.943999
8.737754
8.479812
7.316080
5.034761
6.114383
5.169530
5.756951
8.196844
5.296976
7.185705
5.659047
8.530839
6.764306
5.565538
6.099612
5.067965
7.521653
5.058565
8.543413
7.535081
5.750481
8.216010
6.832423
8.485916
5.482406
6.034059
7.637013
7.676931
7.669973
6.028809
6.741722
6.558000
8.032655
6.613666
8.543535
8.757164
8.050478
8.657674
6.134648
8.430494
7.480514
5.098849
5.347880
6.356822
8.773156
7.486007
6.136235
7.647267
5.760369
6.326182
8.664510
4.947844
6.993927
8.111759
5.486312
5.009857
6.105228
5.901242
7.182897
6.501236
5.565416
6.331431
6.836329
6.936308
6.217902
5.932615
6.715354
6.596820
4.959075
7.624805
8.546098
7.320719
4.943693
6.267220
6.743675
6.032716
8.686972
6.139164
5.980712
8.892666
6.441664
7.223914
6.465835
5.934935
6.223029
7.173498
6.308115
8.076601
5.856807
7.827815
8.343333
6.366222
5.426008
5.163060
8.794885
7.351115
8.491775
7.545457
7.147008
8.435987
6.460707
5.163793
6.603290
7.108554
6.478652
7.518235
8.505448
7.908872
5.219703
7.836604
6.089114
5.013886
4.951262
7.297525
4.950407
8.315378
6.245735
5.931639
5.523362
4.885159
5.271523
5.366619
4.959868
8.079592
7.567492
4.756737
8.234016
5.241737
6.335643
7.837886
8.356944
7.049165
7.100558
7.717032
5.058870
6.360424
8.474136
8.017701
7.267067
5.571459
8.099246
5.902768
4.856471
6.774621
6.302927
5.590136
8.051271
7.598132
4.836451
8.234626
6.846156
7.599841
8.076296
6.052187
4.829859
8.091556
8.059694
6.562212
7.779534
6.266915
4.733299
6.821253
5.404340
6.510086
6.786584
7.523911
6.613117
5.757622
8.445570
6.846156
6.679159
7.791986
7.603504
7.905881
6.679891
7.337870
8.662740
7.715567
7.583728
6.839686
7.461043
5.501633
7.361187
6.792810
5.660451
6.267525
7.494125
8.504654
7.971435
5.471603
5.258217
6.160955
5.587207
6.699545
6.154973
7.071139
7.205664
6.202094
4.864895
4.968780
5.010407
8.176763
5.101840
5.241127
4.989776
8.664937
6.738731
6.964690
4.964385
7.942259
6.582476
8.618549
5.702567
5.276284
5.172887
6.353832
6.496048
7.926023
5.978820
7.692984
6.571368
8.257698
7.368633
5.532151
7.712638
4.854518
5.728935
7.325297
7.469832
5.492843
6.106510
8.321055
6.328318
7.859981
6.749107
7.730827
6.214301
7.889645
5.918760
8.701193
7.711051
7.589709
5.355266
4.964629
7.361064
8.237312
6.760949
7.047700
6.429518
4.815455
7.685537
6.905484
8.503067
7.567492
5.183630
5.863948
5.299966
6.543046
5.621143
4.739891
8.066408
5.012360
5.004669
5.016266
7.932981
5.621509
6.209418
7.947386
6.607868
7.165136
5.480880
8.468032
4.780419
7.852290
6.584674
6.783654
5.611377
4.938139
6.979705
6.513871
8.682760
6.599078
6.390576
6.266305
# Label of molecule (37)
0.668739
# Number of Instances of molecule (38)
5
10.609949
8.936293
9.744201
10.686851
12.346496
8.994174
11.385318
9.108888
10.555182
8.936010
8.731269
9.834394
9.563320
9.858970
12.656913
10.582565
11.597551
11.042237
11.710976
11.639006
11.781706
8.896474
10.918696
9.759066
9.736256
12.195688
10.533146
10.053379
11.082732
11.620731
12.270025
12.141105
11.984959
11.077011
11.842912
10.521028
9.826302
9.711979
8.815186
11.566006
9.893390
10.195316
12.700943
9.028055
9.142730
12.707595
11.638058
9.702586
11.731169
11.612024
12.473629
8.284457
9.885589
11.407197
9.208124
10.491831
8.121774
12.552945
9.582602
8.592761
9.900781
12.469733
10.636189
8.935827
10.409757
9.216590
10.260388
9.379588
10.452126
10.198657
12.302872
9.893195
9.537969
9.621342
8.386522
9.155206
10.781066
11.596448
8.830739
9.663743
11.339291
9.189801
9.758432
9.105618
9.729821
9.308862
12.031745
8.517201
11.009702
9.728965
10.954127
11.565798
12.526287
9.253844
11.563170
12.214890
11.905108
9.871392
11.387083
11.989300
8.720178
9.296121
8.711380
11.846480
11.304114
9.216449
8.695030
9.740247
11.440520
9.179541
10.779046
11.489579
9.335237
12.332876
9.324493
10.385997
11.390481
11.741425
12.293265
12.208975
9.819193
8.345118
7.080722
9.692691
6.972523
10.981643
10.488567
8.857901
7.859895
9.497425
9.925655
6.287476
9.772091
8.753451
7.322154
9.904818
8.632911
9.828185
8.679024
9.671668
8.917815
10.047204
8.861586
8.756145
6.495530
10.999082
8.019950
8.445119
11.861738
9.715721
8.615159
10.869924
6.604930
10.139342
9.657758
9.658675
9.371740
9.228017
10.141420
8.991902
8.524820
6.729023
9.938392
7.425969
8.979263
7.446757
7.501587
7.286859
9.251885
5.812082
6.741066
7.846324
5.427915
9.262017
8.064470
6.926618
6.013382
7.560671
6.105060
7.114734
5.476745
7.175649
8.137349
9.114551
5.996658
6.847270
7.275140
6.658055
6.078326
7.059313
7.975478
6.629246
9.162526
6.657323
6.721168
7.771493
6.101398
6.990707
8.759438
5.357112
7.377438
5.953566
7.768319
7.193472
6.937849
6.298547
5.329524
8.338038
5.523011
8.599277
9.080737
5.901929
7.361446
9.235649
6.420377
5.312311
6.105792
5.778756
8.646397
7.411740
5.888012
6.149007
6.394620
7.768197
5.365535
7.920911
7.261345
5.570864
6.634495
8.153706
8.477691
5.487976
8.885907
6.119221
7.514527
5.858104
8.678137
7.303217
7.492431
8.595737
6.702612
7.055284
8.271142
8.179342
6.915754
6.262047
8.093158
7.103259
7.913831
5.419492
6.657933
7.164174
8.423978
5.477477
6.499969
7.957900
6.788797
5.833811
7.547243
5.963576
8.317408
7.851329
7.733528
5.588321
8.377956
6.272912
8.541292
7.546632
9.108936
8.911542
6.348720
5.952467
5.621158
6.986435
8.456816
7.496582
7.568606
8.485015
6.670019
8.084124
7.958754
8.920942
7.308954
8.308863
9.083422
7.868297
6.524995
7.138783
5.438902
5.641423
5.796457
7.186880
5.515931
8.500397
8.479034
6.942366
8.329005
8.753578
8.285180
5.339656
8.564974
8.134297
6.569552
6.036576
6.223350
6.825419
5.292779
6.778787
6.623386
6.508393
8.540925
9.226371
6.653661
5.809275
7.473510
6.614353
9.138722
8.519440
5.577944
8.626621
9.197928
6.963607
7.101917
8.852947
6.471648
8.893109
5.541200
6.209433
7.089831
6.274987
7.057604
5.693548
5.297037
5.446944
7.924680
6.976165
4.905911
5.921934
6.855434
6.908414
8.566668
6.472976
7.883175
7.582385
6.497024
6.820765
7.333964
6.600543
7.238868
6.707846
5.418744
7.392071
7.027802
7.545518
4.897122
7.792718
6.218940
7.019990
6.482253
5.522385
7.641713
8.035768
6.864589
4.937162
5.759331
5.369060
7.226783
7.428449
5.508713
7.408185
6.125553
5.846736
7.694205
8.353282
8.617450
5.323771
7.810663
8.253670
5.498581
6.867153
5.173009
8.255379
6.540727
8.104007
5.223914
6.434034
5.590625
5.548387
7.896359
5.590258
5.414106
8.767113
4.905911
6.379223
8.156743
6.817469
6.848842
5.152013
7.295267
5.336222
6.977874
5.883480
6.959075
6.649251
6.534379
5.559862
8.490860
7.281350
8.509781
6.403027
6.126652
5.238807
8.710471
6.305734
7.666982
7.440901
7.004730
8.852565
6.014832
5.673757
7.622059
8.301279
5.457564
7.444075
7.383526
6.901700
8.563982
6.105167
8.736351
7.923948
7.574572
8.632344
8.468520
5.772881
6.159368
5.420331
6.977264
8.564837
7.416730
8.481338
4.968413
6.537553
5.990661
6.414014
8.459487
5.674612
8.179205
6.523026
4.962676
7.912961
5.910947
8.460707
7.723136
5.311686
8.463027
7.767327
6.885586
5.559130
5.796319
5.686087
8.467788
8.187506
7.384014
7.624256
8.010865
4.876125
6.405347
6.639607
7.787225
7.214454
5.183020
6.325022
8.435804
7.300638
7.737907
7.465804
7.903562
6.552446
7.334452
8.845363
6.565874
6.102603
6.895230
6.575884
7.401715
6.156072
8.156011
6.325755
6.099063
7.682608
7.438948
8.820826
7.963988
7.820917
5.917905
6.994476
6.510331
6.368114
8.761452
6.888226
5.610355
8.746681
5.193228
8.868633
8.048418
5.999771
7.558535
8.662206
8.422086
8.435636
6.314356
7.441710
8.616428
5.219230
6.892621
7.900952
6.294702
6.240623
6.742836
8.135701
7.109180
7.302545
6.178488
8.234336
6.403226
5.958388
7.904736
6.955977
6.281518
8.373135
6.099506
7.867748
7.921949
5.582156
7.924879
8.319666
9.004624
7.524598
8.342738
6.628941
6.133564
5.223746
5.110828
8.852153
8.125446
5.492676
6.832926
6.515412
8.039750
8.535981
8.938337
6.684362
7.827097
8.827250
6.467071
5.740852
7.469176
5.633427
6.534211
8.249596
8.486785
7.563784
5.348628
6.282128
7.688055
5.515503
8.662084
8.579928
7.036424
6.395535
8.522187
6.925947
7.508728
5.987564
7.205863
5.103626
8.821390
5.345454
5.207144
5.816294
6.899091
5.082873
8.154622
8.942244
6.959761
5.937880
5.533082
8.500946
8.092608
5.984756
8.086627
5.706061
5.202383
6.870525
8.773537
5.478027
8.197104
7.448302
6.153951
5.792978
8.291467
5.186026
7.080126
7.243583
7.304010
7.722236
7.566958
8.184042
7.820261
6.944746
8.717627
8.837870
8.098468
5.970473
6.578158
5.740242
7.592593
7.395444
8.797708
7.892407
6.967818
5.195059
8.967147
8.000565
8.482269
8.647923
7.513733
8.177328
8.611911
8.656835
6.024552
5.477538
8.792093
6.844523
7.875195
8.647191
8.151448
5.797494
8.037065
7.455138
8.113361
8.832621
8.941389
5.988907
8.738380
7.662664
5.270623
5.284661
6.685339
6.335475
6.556429
6.668249
6.664220
7.821848
8.456145
5.182608
8.255089
7.625309
5.583987
8.476409
7.970656
8.792215
8.773049
6.527131
7.627308
7.563952
8.544694
5.945616
5.320475
5.641163
6.553423
5.912534
6.317209
7.040742
5.780938
8.984771
8.155278
5.143101
7.059786
8.255745
5.967223
6.943083
5.612842
8.784570
8.695700
8.664083
8.311289
6.894131
7.860714
7.833857
5.173254
5.867733
5.759941
5.196814
8.981597
8.419568
7.971435
7.835932
6.891812
8.313120
7.036836
6.880947
5.908506
5.503220
6.198920
5.178869
8.103763
7.177343
6.069887
8.298349
5.452315
7.068209
7.102390
6.246406
6.159490
5.417158
6.742393
7.270852
6.355907
5.960265
8.134892
7.122898
7.034272
8.311411
7.260842
7.156957
6.103702
8.120853
7.377789
8.640156
5.436567
7.381695
7.640370
8.648579
6.781335
7.258522
6.775597
8.924345
8.418836
5.815973
8.688131
7.067965
8.434706
5.020295
6.869594
5.442915
6.485427
5.389325
6.488357
7.164769
5.929624
8.664937
5.032991
6.551958
8.203497
6.886074
6.386547
7.412702
5.311319
6.232978
5.204627
8.542131
6.310862
8.021607
8.473891
5.806207
7.663198
7.220069
7.123997
6.186102
7.326640
6.864589
8.571184
7.158177
8.466933
8.748314
7.064669
8.785669
8.659932
6.758385
6.713950
7.895627
8.461318
7.237770
6.069765
5.717582
7.218970
6.743248
7.136204
6.357494
8.001831
7.579089
5.685598
5.482223
7.521470
5.477950
5.755181
6.591388
8.920438
5.805109
7.196509
8.248665
5.303018
6.661946
5.155675
7.649892
7.883908
5.262246
6.358592
7.902219
6.627033
5.956969
5.074252
6.388012
5.254189
6.283029
7.634877
7.591662
6.493851
7.409284
8.383679
5.760063
5.447676
5.357463
5.929014
8.776025
6.950163
5.370769
6.577105
8.616230
# Label of molecule (38)
0.651478
# Number of Instances of molecule (39)
5
10.611551
9.042945
9.539564
10.466155
12.251914
9.011205
11.433620
9.151035
10.524724
8.851901
8.699709
10.034488
9.326356
9.985189
12.607371
10.609939
11.666757
10.991838
11.650787
11.615748
11.727324
8.930739
11.158743
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8.878399
8.010453
# Label of molecule (39)
0.767147
# Number of Instances of molecule (40)
4
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7.970901
8.865337
8.190512
5.437864
8.888043
8.269372
8.101886
8.659032
7.428892
8.085406
7.983718
7.204520
8.075640
7.739326
8.530244
7.567568
7.257622
6.394559
7.041429
5.427122
5.073107
4.918561
7.001022
7.861766
7.691717
7.935011
5.020737
8.584689
5.310297
5.336543
7.028245
6.577914
8.539644
6.635166
7.570132
8.501190
8.095050
7.520692
8.109699
5.246086
8.667577
6.007584
8.189291
7.017869
5.848399
7.542177
5.336543
7.311701
4.984481
8.444792
5.587893
8.165120
6.838298
5.064074
8.502899
5.057482
6.926435
6.016617
8.546480
7.833811
5.414426
6.887494
8.714209
8.025834
6.440092
8.767190
8.273522
4.947615
7.742256
7.998611
8.497772
4.939680
7.468322
6.511261
6.266991
6.135273
7.789865
7.504089
7.311701
8.510102
6.050676
8.279382
6.678991
6.112690
7.532167
5.813486
7.600894
6.754799
6.521149
8.676855
6.929853
8.057207
8.550386
9.044420
8.549776
8.532929
6.576205
8.479217
6.941084
8.521821
6.151143
7.863231
6.927046
6.711951
5.461547
5.851939
8.473601
7.621158
6.109149
8.227378
7.419126
5.415159
8.508393
8.524506
9.009995
7.436216
7.776803
6.306177
9.114002
6.817911
7.992630
7.461974
7.989944
7.560854
6.693518
8.903912
7.486023
7.444517
7.494446
8.037431
8.543794
6.149312
8.695288
7.380184
7.880322
7.965529
5.757576
6.703528
6.726966
6.462554
7.523255
9.073351
6.496490
8.494354
8.049028
9.164174
8.255089
8.915510
5.934462
6.221213
6.874187
5.383786
9.017441
6.046648
8.737403
8.623508
8.310144
6.383694
7.876293
5.523804
7.053758
6.073870
5.411618
6.449736
8.765114
8.363979
7.173879
6.137471
6.149678
6.735145
8.378384
5.551759
6.757851
7.631046
8.230552
8.078570
9.257561
6.459258
7.335383
5.428465
6.199484
7.241264
6.786782
6.627476
7.149464
6.285669
5.811899
5.466674
6.062883
6.260277
8.844462
7.789499
6.776528
9.036729
6.903241
5.988540
6.492462
5.684576
8.150594
6.090228
7.128834
7.988845
6.504791
6.798135
6.413480
7.864330
7.182669
7.873852
6.594028
9.045640
6.046648
7.228202
8.641087
5.423948
5.632084
8.098712
5.817270
6.408353
8.728248
7.687201
8.490204
7.685003
8.389615
8.634861
6.060442
7.749214
7.252007
8.706275
5.884289
8.587497
9.028306
6.061052
7.061327
8.881695
7.058397
7.485778
8.965682
8.112140
8.789285
8.961409
8.393521
5.933729
# Label of molecule (40)
0.702090
# Number of Instances of molecule (41)
5
10.521089
9.037223
9.501360
10.682103
12.275606
8.961706
11.265224
9.193076
10.359459
8.789155
8.578361
10.050408
9.607994
10.000953
12.710372
10.646305
11.507049
11.131597
11.770327
11.783839
11.800040
8.804282
10.926622
9.524648
9.641533
12.464798
10.658351
9.895931
10.987599
11.829655
12.244572
12.049894
12.237144
11.361735
11.466311
10.769284
9.825964
9.873647
9.112679
11.758086
10.053215
10.424922
12.637997
8.874881
9.306889
12.607140
11.415209
9.915228
11.629685
11.723216
12.595359
8.414500
9.515371
11.473797
8.991639
10.674130
8.584539
12.265519
9.765863
8.350921
9.952342
12.269141
11.006132
8.645820
10.730478
9.397273
10.585472
9.219244
10.501500
9.756205
11.708470
10.074051
9.611226
10.138319
8.401451
8.894774
10.348219
10.997973
8.813028
9.819027
11.676215
9.120249
9.439904
9.056202
9.526248
9.445735
12.389184
8.144289
10.956471
9.994802
11.156158
11.297662
12.530570
9.160899
12.030502
12.118237
11.836339
10.210454
11.152032
11.632341
8.876330
9.367470
8.639386
11.996302
11.547743
8.876898
9.025569
9.335243
12.007813
8.987171
10.516725
11.254526
8.961046
12.333731
9.343936
9.789103
11.689910
12.002385
11.933415
12.148727
9.961937
10.129098
8.663037
10.019441
9.457625
12.380703
11.181705
10.878032
9.446917
10.028350
12.005855
8.663777
10.567606
8.601355
9.239182
12.086214
11.018310
12.424108
10.254918
11.930458
11.588164
9.878755
10.179014
10.517681
8.441080
10.894193
9.509744
8.576517
11.718159
11.242460
10.094218
11.337448
8.844650
12.280393
10.534016
11.455045
10.871005
11.318996
9.323030
6.592730
8.937595
8.180026
10.245103
8.961029
7.025248
7.239879
8.461638
5.962905
7.163259
7.044481
8.109699
8.655370
5.672002
5.812387
8.195151
6.650548
8.794656
5.426267
9.251579
8.912214
9.032823
7.981521
8.119221
8.862407
8.403287
7.909497
7.445982
5.291620
5.841441
6.243309
8.837260
8.948347
7.691717
9.250359
6.029191
7.682440
8.657079
7.305475
8.461394
9.019517
8.586764
7.884472
7.620548
9.039048
8.473357
6.546541
8.535493
6.432402
7.036180
5.786264
6.793497
6.616123
9.266228
5.626225
5.456175
6.773843
8.305750
7.827952
8.248253
6.703650
8.040361
5.593997
7.394955
8.344935
7.775826
8.638890
6.483184
8.859966
8.376308
7.499329
8.720313
6.145039
9.238517
6.965133
6.966964
5.646855
7.476745
8.499969
5.918836
7.357356
8.694189
7.529359
8.810526
5.864513
8.714209
5.472289
7.018601
6.332179
7.648869
6.388943
8.938459
9.284783
7.677313
6.120380
6.509064
7.071459
7.910718
7.796579
7.761299
8.885968
7.717841
7.585269
5.764534
9.213981
7.886914
8.559053
8.347377
8.587619
8.997909
6.554109
6.965499
5.518189
8.380825
5.896496
9.094592
8.484466
7.036058
8.870342
8.520112
6.848674
7.888623
8.802591
5.902112
5.580691
8.755226
6.641758
5.986831
6.658483
7.396054
8.902448
7.842967
6.025040
6.028459
6.851482
6.495636
8.974960
8.675756
6.813517
6.334620
8.844340
6.726966
7.466247
8.670263
7.882885
6.083636
6.004288
5.812387
9.177969
7.265923
9.045763
8.049883
6.510041
7.856151
6.153584
7.900220
9.012803
6.652013
5.852428
8.011063
7.511292
6.906781
8.009964
9.082751
7.417173
6.029923
8.461272
8.189901
7.052049
9.123524
5.751106
7.877392
6.275536
5.961852
7.852412
6.723472
6.402417
5.064974
7.080905
7.371807
6.657674
5.630055
5.936460
7.316141
6.960662
7.626942
5.435102
7.679434
5.880428
8.698019
8.468642
8.051393
6.606403
5.768609
8.635517
5.377483
7.010956
6.057192
7.503159
7.682363
6.827967
7.857295
5.173254
6.005066
7.824580
5.468429
7.027558
5.920347
8.839747
6.651936
7.528184
6.020325
7.564806
4.982452
5.947081
8.732322
6.941618
7.475936
6.901700
6.847865
6.052675
7.862911
8.568499
7.137303
5.378460
5.888119
7.452254
6.425489
6.296579
7.006928
6.584796
5.503464
6.699179
6.855312
8.028687
8.251106
8.600970
6.868618
8.559832
7.345195
7.616199
5.423750
7.405499
7.929441
8.176153
6.879727
4.912137
6.619465
6.364940
4.891263
5.016755
5.219031
8.247444
6.372021
8.399915
8.522965
5.563280
8.479141
5.190710
5.579272
8.664937
6.998871
6.104801
7.789300
6.570757
8.503433
4.883694
7.217017
6.012513
8.657491
6.916715
8.485366
7.347880
5.047517
4.915067
5.633351
5.217078
6.910489
8.518082
5.308390
7.815668
6.134098
8.701559
7.671010
6.658773
7.908078
7.868038
6.383129
6.714805
5.396161
8.490860
7.060640
8.779077
8.809473
7.187109
5.558153
5.965392
5.249794
7.096896
5.468062
6.190985
7.705191
7.441267
8.203131
6.526200
5.565355
7.134251
7.041231
7.288675
7.038667
5.326456
6.505570
7.753533
5.839900
7.751579
6.456374
7.356059
6.528520
5.753227
8.267830
6.261422
4.868801
4.866848
6.466018
5.176794
5.589892
5.830622
7.203711
6.280465
5.917661
6.901578
4.944853
7.143284
7.256691
6.351024
6.735801
5.517136
7.394147
6.014832
7.431867
6.602618
5.120396
8.342540
6.848354
8.666768
5.032014
8.112552
6.494949
7.539537
6.930265
7.335795
7.330424
6.537553
6.596026
8.100345
4.695456
4.738304
6.323191
6.617023
7.534165
5.234901
6.791467
6.579913
4.761010
6.567583
5.524339
6.390820
7.154393
6.212836
5.309122
8.128910
7.146580
7.000458
5.951720
6.134831
4.887356
7.335307
6.743492
7.089816
6.957366
6.099673
5.013092
7.459212
6.102603
7.109836
6.139836
8.179937
8.370251
6.001770
6.402783
8.465346
8.014893
8.422742
8.040895
6.600177
8.555925
6.401318
7.898801
5.605884
6.356029
5.773003
7.033906
7.645009
7.100314
7.535264
6.659261
7.044527
7.546861
8.006958
5.797296
5.811213
4.926908
8.667745
6.019593
5.513840
6.368969
8.552141
6.647786
7.407697
4.718894
6.073550
7.789666
6.676229
5.136753
7.152196
8.587298
8.664937
4.839869
6.523637
6.049989
4.982452
6.369457
7.101169
5.849178
5.343913
6.756798
8.268807
6.448927
7.031220
6.962127
7.977660
7.946409
5.845882
7.961791
5.523728
6.999847
6.428663
5.858821
5.879086
5.216590
7.821650
8.393200
8.452773
8.377575
6.147404
5.223304
5.156774
7.871090
6.280709
6.358348
6.652425
5.715262
8.386608
5.111728
5.649464
6.539506
5.201086
7.955199
8.137211
5.901914
7.930052
7.644276
5.418134
6.318674
8.638325
5.993957
5.823298
6.378368
5.007233
6.676717
6.980560
6.318064
7.334819
8.419202
7.513413
7.434675
5.651418
6.972503
7.044893
4.707541
4.829493
8.231330
5.380291
6.007019
5.559374
4.875027
5.745048
5.263710
7.067232
6.909268
4.952177
6.974212
5.450972
6.478957
7.374615
7.888012
6.153218
8.511811
6.485015
7.858715
9.177480
6.355373
8.291833
8.754982
9.061144
6.161519
6.392117
6.014298
6.856365
5.844005
6.124653
8.510590
8.731788
7.969069
8.673925
8.882916
9.146840
6.112812
7.224418
6.764321
7.956984
5.553591
5.735481
5.283319
6.324244
5.676153
8.205039
7.213309
8.305383
5.461425
8.302454
7.146046
8.996567
7.436949
7.242729
6.063738
8.106769
5.463256
5.778817
8.683813
5.836558
7.732490
6.184957
5.952895
7.936354
8.350673
6.107807
7.063890
8.818461
6.882611
8.160115
7.371273
7.599796
5.232780
7.130421
8.580172
5.949965
5.235710
6.686438
5.583987
6.616733
8.334071
7.444761
8.325037
5.508667
8.716041
6.282128
9.053453
8.205893
5.290155
8.765725
7.360652
7.775582
7.870067
6.573641
7.360164
6.768471
6.945479
5.784310
7.391781
8.268761
6.413968
5.906384
8.625340
6.873821
8.649510
7.527284
6.936689
8.479217
7.280328
8.452971
6.432768
5.742683
9.054308
6.215598
6.999924
6.104022
8.164510
6.823038
8.250450
7.232475
6.410672
5.625004
6.243309
8.781472
6.572176
8.172811
5.352290
7.320856
8.366054
8.944563
5.658452
7.325007
6.366115
7.814035
8.240562
7.090381
7.259819
6.136006
6.738685
8.457732
5.812632
6.323756
7.567202
9.213492
8.921979
8.794046
7.150319
7.046800
7.128834
6.153584
8.556124
5.935682
6.968551
8.504486
5.904798
5.837779
7.529359
7.738960
6.924604
6.561190
6.599399
6.704505
6.031144
6.689245
7.773263
9.108509
6.305689
8.436369
5.894665
8.041704
6.746864
5.306513
6.210837
8.993393
9.170034
7.434263
6.611728
5.233390
9.130726
5.476806
# Label of molecule (41)
0.817007
# Number of Instances of molecule (42)
3
10.457640
9.074277
9.593009
10.599904
12.289061
9.104751
11.455798
9.374063
10.342709
8.670536
8.558125
9.826284
9.416713
9.884030
12.438165
10.763472
11.732001
11.137726
11.549375
11.786113
11.870508
8.774051
10.658288
9.798117
9.959038
12.421926
10.450123
10.203842
10.840767
11.888028
12.567531
11.898152
11.923547
11.396942
11.696345
10.679306
9.732560
9.671904
9.088923
11.591380
10.011213
10.068126
12.394939
8.699094
9.381967
12.286544
11.629086
10.185948
11.903564
11.837883
12.369468
8.177765
9.536175
11.570941
9.320108
10.930452
8.268795
12.085774
9.894662
8.647834
10.066486
11.877420
10.611934
8.507644
10.788955
9.295034
10.439676
8.995371
10.136133
9.951545
11.918590
10.160610
9.476483
9.965077
8.439114
8.928057
10.570196
11.521050
8.562558
9.889457
11.431720
9.327944
9.515194
9.501047
9.335647
9.573532
12.168002
8.496716
11.304178
10.143860
11.316285
11.424872
12.506753
9.230168
11.625205
12.672222
11.304722
10.200878
10.907050
11.469787
6.633630
9.308686
6.846563
9.943907
10.902524
7.773154
7.390438
6.997637
9.832634
8.377761
8.579840
9.430688
9.218400
12.777942
7.631021
7.387627
9.179828
9.841669
9.073709
11.280561
7.744291
7.367904
6.911343
8.741746
7.925701
12.180488
8.351822
8.557348
8.978642
7.935091
11.728630
8.175543
8.832328
7.537970
6.986595
10.678373
10.469718
10.670783
9.404321
10.092364
11.236971
7.285822
9.642963
9.671491
7.092890
8.306852
7.790570
6.650687
10.003830
8.830167
10.009037
8.653755
6.147704
10.128784
9.985014
8.541255
8.010624
9.582633
8.722039
7.790127
7.111850
6.854457
7.453115
7.057253
8.970558
6.699368
6.661397
5.374737
6.382458
8.855190
6.677755
5.696524
8.644978
6.136601
8.683676
5.773797
5.481063
8.741539
6.259896
5.959593
8.679769
5.860347
7.218909
5.820307
5.973876
6.307627
5.123020
7.960997
5.291360
7.966979
6.233894
7.687307
7.120884
8.012513
8.765099
7.877987
8.870693
8.277169
5.315653
8.443434
7.095370
8.144597
5.358379
5.744987
5.463485
7.340007
8.656575
7.350627
6.343760
6.993805
6.485977
5.500473
5.881466
7.354411
5.537706
6.660298
6.444838
6.523576
7.373943
8.533525
6.310434
6.591082
6.314463
5.910642
8.468947
7.542405
6.627583
8.730308
8.420240
7.314493
5.900266
5.723380
6.837672
8.375805
5.464339
5.021821
6.973785
5.204077
6.750877
5.100314
6.682882
5.038301
6.449477
7.430708
8.936857
8.277657
5.348735
8.221015
8.706503
8.905606
7.729301
8.617023
8.086978
5.311258
6.187872
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8.766198
8.926481
7.123447
7.762993
7.257851
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5.600696
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7.572802
6.936308
7.276040
5.193091
5.028047
8.229438
8.458571
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5.414655
6.187628
6.932279
5.551988
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5.182836
7.203650
7.308267
6.658956
8.778893
7.353191
8.063906
5.228980
7.364788
8.914151
5.906735
8.487259
8.367748
7.106235
5.741813
5.250710
6.206549
5.135472
6.272347
8.346019
7.145787
8.424757
7.318522
7.505783
5.421735
7.647633
8.845424
6.759667
5.017182
5.443587
7.078402
8.191839
7.460128
7.686697
7.079012
5.939573
8.020081
6.184088
5.155614
8.310984
8.678915
5.679922
8.486892
7.893246
6.248787
6.038087
5.329814
5.528916
8.015076
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5.189306
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6.303232
5.513779
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6.078494
5.940184
8.270577
7.053255
6.892483
6.579363
8.877529
8.196234
7.922666
5.755242
5.696280
8.415845
5.909543
6.636738
5.411969
6.880276
6.526627
8.836634
8.578082
8.881069
7.500900
8.807947
8.031068
7.162877
8.787927
5.200903
8.045961
8.152043
8.677084
6.555925
6.108768
7.457076
6.700949
8.706626
5.182714
5.019501
8.225288
7.270791
6.339244
8.286691
7.592090
8.600055
5.633412
5.783563
8.694296
8.566851
5.095431
7.458296
7.853450
6.562395
5.714347
6.175298
5.878170
8.079531
8.289254
8.732994
6.177129
7.257363
6.022462
6.778710
5.801019
6.761864
6.730125
7.998474
8.290475
6.376843
8.545000
5.953124
5.201514
5.681753
6.985382
8.940641
7.189245
8.189032
5.268288
6.254158
7.516892
8.318918
5.738395
8.215644
6.873196
8.584185
6.288461
6.356334
6.367321
8.361278
7.649220
6.121708
5.579455
7.622120
7.419111
6.474624
8.540849
7.002106
6.712790
6.771264
6.517716
7.579028
5.301492
7.286660
8.476882
7.737358
7.119419
7.762383
8.103702
8.494339
8.014344
6.353771
6.251473
8.661580
7.613330
7.350505
5.694449
5.217261
5.182348
8.044252
5.061129
8.265572
5.352153
5.121311
8.822230
5.954466
5.586291
6.953520
8.207465
8.732994
7.266762
8.161565
5.928709
8.315867
6.271737
8.827723
7.581225
8.737144
8.920377
6.731468
8.600177
8.862392
5.159154
4.983978
7.647023
5.738151
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7.436323
7.300577
6.152348
5.152684
8.234077
8.927458
7.779595
6.514298
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6.607196
5.288553
5.749626
6.304209
6.987823
6.785180
7.476974
8.929899
7.944517
7.965392
# Label of molecule (42)
0.573465
# Number of Instances of molecule (43)
3
10.641596
8.915899
9.516109
10.537762
12.336260
8.939439
11.308025
9.364111
10.579246
8.897457
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9.729133
12.647668
10.542257
11.515955
11.168614
11.799568
11.728986
11.787156
9.054971
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9.711123
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12.177214
10.600026
10.024756
11.061255
11.667270
12.298987
12.190202
12.012444
11.170186
11.599201
10.910857
9.881446
9.799987
9.248308
11.825400
10.191154
10.251992
12.599000
8.788965
9.068694
12.498686
11.416718
10.093097
11.562623
11.753211
12.437771
8.504209
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11.471182
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11.006445
8.499590
12.322865
9.762596
8.584489
10.241120
12.125409
10.657036
8.817128
10.756390
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10.515288
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10.136818
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10.164789
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12.256236
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9.960955
11.442321
12.069916
12.425489
12.749377
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10.505750
9.479485
12.308488
11.041282
10.797528
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10.054007
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9.024048
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10.061935
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10.014625
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10.560338
10.335163
7.232429
8.452402
9.288942
7.317369
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8.776826
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10.294777
10.102366
11.338901
8.767018
11.386496
8.307765
9.221138
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6.610152
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5.363033
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6.503082
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5.615116
5.795053
8.188192
8.993393
8.281945
9.129017
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6.522492
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6.468291
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6.762001
6.810343
6.579134
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7.046556
8.067217
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6.130390
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6.065569
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8.471282
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8.883648
8.382046
7.718696
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6.971480
5.463744
6.820841
8.629246
7.697455
5.250481
6.201926
5.592410
6.176656
5.211783
5.409787
7.927808
5.176992
7.063402
7.333674
5.272332
5.413327
7.160329
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6.244652
5.211173
6.076434
5.594607
6.050188
8.913190
7.082812
8.623997
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5.900647
7.898389
5.268303
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8.110553
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7.624943
7.493835
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8.498138
5.220206
6.001480
8.251915
9.053453
8.834941
8.946272
6.856609
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8.631321
5.868297
6.505158
6.523225
5.462157
8.550996
9.111072
6.243065
8.233116
7.813669
5.568728
6.154195
8.195029
7.643864
7.215384
7.177786
7.041551
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6.781655
7.625919
5.685797
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6.713294
8.312952
6.591952
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6.731971
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8.515107
6.999802
6.672765
5.295404
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5.964980
6.756996
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8.560396
6.545686
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7.611148
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7.119068
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6.067644
5.753304
9.099963
8.429289
6.002579
6.158956
6.350124
6.893231
6.799478
6.206687
8.755348
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8.270714
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6.242073
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8.942961
5.023408
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7.142125
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7.084506
5.606922
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7.745781
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8.526444
8.270211
6.731956
6.880398
8.716880
7.456954
7.844661
5.463851
6.401624
6.856349
7.367351
5.610950
6.690329
5.142552
5.553941
7.795465
5.885617
7.903989
8.580767
6.912259
8.055605
7.216834
6.331919
6.268929
8.378613
7.523850
5.397443
5.569201
5.637318
8.692465
6.657369
8.764977
8.235542
7.127110
6.824732
7.647877
8.113468
5.812372
5.327250
7.061800
6.937529
6.159551
7.898373
7.603931
8.936857
8.533891
8.253487
7.695364
8.764611
6.335948
7.229774
8.892788
8.757042
8.513016
6.759056
6.318003
5.966430
7.374676
6.053468
8.078921
7.342204
6.588763
5.375958
5.558214
5.435163
6.231574
8.772912
6.444716
5.001068
7.767754
7.141270
8.380322
8.876919
7.835017
5.007904
5.100558
5.504990
7.708426
8.394360
6.942534
6.483169
7.319620
5.141820
7.593677
8.509476
6.705344
7.073763
6.958403
8.103702
7.761162
5.367656
6.017457
7.475753
7.173986
8.514115
7.554125
7.917539
5.410504
6.235481
6.621601
5.093600
6.634541
8.742515
8.629475
6.605365
6.428480
8.699301
6.920438
6.202765
6.196417
7.276406
5.715934
7.021027
7.119663
7.663625
8.302927
8.214301
6.543107
5.419294
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7.363567
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7.030549
8.142155
5.033052
7.416181
6.058718
5.868526
7.849544
5.366436
8.246895
7.404096
# Label of molecule (43)
0.734591
# Number of Instances of molecule (44)
5
10.360035
9.025569
9.725917
10.493619
12.534716
8.984461
11.390911
9.199315
10.498663
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9.804420
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12.212591
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8.945811
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9.859240
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10.426041
12.425760
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7.703696
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6.994395
10.015768
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7.823830
12.478000
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10.553680
6.675475
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5.486801
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8.054506
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8.499588
7.771661
5.760613
7.207923
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4.798364
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6.180853
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7.958251
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6.754601
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6.645466
6.536210
6.297555
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6.244331
5.910825
7.859859
5.684500
6.915494
6.963469
8.122562
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6.715537
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6.215522
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5.536302
5.056795
7.058443
8.589618
7.692007
4.723899
6.788171
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7.646596
8.544328
8.440443
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7.705557
5.213172
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5.449019
4.800806
8.584368
5.096103
6.964446
8.054323
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4.996002
6.468825
8.354625
5.828303
8.085208
4.968780
5.176061
6.803308
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5.972350
5.045808
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5.465255
5.425459
8.486831
6.773522
6.371899
5.899716
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6.639363
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6.303537
6.949065
6.341746
6.034730
4.728050
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4.984039
5.795221
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7.661000
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6.287179
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5.976379
5.390423
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8.178472
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5.017609
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5.119419
6.148503
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6.038026
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6.176946
4.894070
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4.784448
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6.495315
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5.577807
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7.176244
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7.263161
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6.311716
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5.477462
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7.678335
4.923856
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7.217261
6.558428
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7.493393
8.638325
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6.368847
5.515427
4.874172
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6.317576
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6.761193
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7.069674
4.984527
8.467177
5.362468
5.398846
4.957305
7.316141
6.810144
6.785363
6.202826
5.131260
7.871578
5.844050
8.010743
5.345744
5.603931
8.269539
5.081698
5.642506
5.702445
6.799524
7.892331
4.962065
8.547380
5.734916
7.520127
8.751366
7.651601
8.887967
6.305979
6.331004
8.880520
7.835444
5.726615
8.254280
8.820948
5.352580
8.852321
5.532395
8.672994
6.900235
8.767113
6.603961
6.040712
7.042207
8.323984
5.919004
4.996124
7.668081
6.611042
8.017945
6.791345
6.894253
5.503830
4.975494
5.594531
7.521592
7.678579
7.088351
7.624500
7.920286
7.461287
8.678854
6.057924
8.222053
5.887631
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6.085879
6.689779
7.349223
5.356487
8.493179
7.143529
5.200232
8.596210
6.136540
8.314951
5.700858
7.046846
5.695975
8.007202
5.670095
6.574664
5.074984
4.934355
5.226600
6.357860
6.823328
7.115696
6.988861
7.010956
5.959044
5.698538
7.111423
8.826807
8.564226
7.087741
5.533128
8.010254
7.527696
6.252998
8.810572
8.779443
7.812860
6.092227
8.911771
7.208594
7.622791
5.723563
7.347514
8.689352
7.839473
6.582842
8.012085
6.882412
8.111209
7.200293
8.110721
6.037782
5.962951
7.532090
6.547441
6.557207
5.306558
5.721732
7.149876
7.672597
6.722495
8.166143
8.103519
7.117771
5.891293
7.760247
6.973357
7.667348
8.548845
7.198706
8.685446
6.416944
8.338267
6.204901
5.844905
8.681539
7.937132
5.565844
6.764733
6.385205
5.832331
# Label of molecule (44)
0.725120
# Number of Instances of molecule (45)
4
10.655794
8.896108
9.614229
10.547286
12.448462
9.042498
11.351161
9.166694
10.404545
8.714659
8.511369
9.913297
9.367052
9.954143
12.763076
10.541383
11.788298
11.109442
11.482264
11.761474
11.742308
8.869255
10.987376
9.647857
9.779610
12.198614
10.578061
10.055360
10.953798
11.628332
12.400138
12.219369
12.083514
11.194065
11.529427
10.722759
10.069769
9.667191
9.134338
11.938333
10.215886
10.185895
12.412259
8.818274
9.087957
12.571260
11.474627
9.915649
11.612824
11.662720
12.334448
8.438229
9.669212
11.621490
9.341403
10.725583
8.505199
12.564079
9.655905
8.423512
10.349185
12.428975
10.776543
8.674206
10.852675
9.591336
10.163082
9.455920
10.196871
10.222588
12.347806
10.297452
9.617258
9.847105
8.461314
9.098519
10.708390
11.043236
8.521948
9.811554
11.410328
9.248677
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9.417972
9.368275
9.590650
11.760382
8.591533
11.102325
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11.096845
11.134816
12.478243
8.959394
11.636570
12.274059
11.892633
9.878932
11.098345
12.026926
9.173762
9.438207
9.039674
12.229866
11.408026
8.973205
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9.751088
11.787610
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10.902553
11.030250
9.327228
12.204484
9.402924
9.873945
11.442053
12.110383
11.931404
12.583229
9.894659
9.993536
8.808487
9.911155
9.475145
12.528134
11.068291
10.900563
9.446657
7.597174
10.532753
8.639040
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7.546110
7.577389
12.651754
8.870651
11.376235
10.194946
10.765624
9.361675
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10.305055
7.906576
7.613666
9.349843
7.599159
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10.264603
10.185612
8.363000
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8.267198
10.239154
9.781052
11.230377
8.132914
9.271782
9.531600
6.684494
8.935076
7.760444
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7.843124
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6.587725
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5.129795
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8.379894
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5.051668
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6.516923
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8.334605
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7.090182
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5.205725
5.156285
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5.325114
5.048982
6.091739
8.776025
6.369945
5.060091
8.028321
5.098056
7.512680
6.221381
7.900754
8.776635
8.454604
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7.038301
5.377483
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6.535722
7.426130
6.484329
6.070864
6.067690
5.271401
8.632344
7.207495
7.221412
8.749046
7.829585
6.277291
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8.801294
5.039338
5.421064
6.797937
5.868343
7.997681
8.217536
8.178594
5.422895
8.742210
5.572924
7.997559
5.184606
6.226630
7.979858
7.276711
6.888516
5.397137
8.015015
6.186468
7.484725
6.103336
6.957121
7.515000
6.640950
5.220985
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7.287454
5.426069
5.360637
7.705557
8.908109
5.048128
5.537156
8.268197
7.200781
8.521256
7.174657
5.304239
6.722861
6.138005
6.823206
6.202582
8.727317
7.621815
8.960845
6.214911
7.148900
5.832575
6.256905
8.392468
7.988891
6.903531
8.671285
6.640584
8.471572
7.681997
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7.765252
6.351512
7.349834
8.591693
6.385815
7.742790
6.099185
7.564318
8.591937
7.846675
5.736869
8.638081
6.215155
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6.630894
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6.943892
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8.758889
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7.709906
8.432707
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6.142842
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6.471221
5.163930
8.592013
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7.793649
5.435911
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8.862529
6.418729
7.834422
5.623783
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8.390713
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6.797891
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6.590976
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6.323267
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6.137226
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6.591830
6.230003
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6.792276
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8.941389
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4.997787
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6.841960
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6.081805
4.981063
8.728370
8.039750
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5.674932
8.233360
8.656224
6.143941
6.857463
7.338679
7.376766
7.411313
6.510285
8.403165
5.608036
5.262322
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5.513672
4.977645
6.743446
5.793710
5.283319
5.218619
6.686193
5.348384
7.734199
5.806040
6.306055
5.212882
6.956099
6.897748
8.013016
6.800333
5.912488
8.454924
7.806833
5.556398
5.770272
8.417692
8.634617
6.115619
8.127277
6.809610
8.083453
8.073565
6.514069
8.648045
7.784127
6.252342
5.543947
8.532685
5.901135
7.333186
8.086261
5.789926
8.083087
6.730384
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5.047349
6.249290
7.583438
6.668371
7.110767
8.587863
5.740730
6.114521
5.023057
6.138325
6.610996
8.396573
6.177511
7.336848
5.755745
6.333644
7.359066
5.896252
7.100635
7.533509
7.592471
5.397214
6.637486
8.229087
5.668584
5.965957
7.494446
6.140034
7.226493
8.411954
6.247581
6.731605
8.264122
5.202017
8.350917
7.247490
7.954299
5.646245
8.556734
8.890851
5.640751
8.667699
6.204855
5.528932
6.887982
6.535066
7.253471
7.296686
5.461425
8.931013
6.926679
7.471862
6.112201
6.729774
8.854595
7.001511
7.040941
8.862896
6.581210
5.049059
6.917768
7.644475
7.313410
5.942152
7.330134
5.932875
7.787790
6.891644
7.536805
5.503540
6.129658
8.861431
6.400418
6.006973
7.579287
6.959761
8.376308
5.888440
7.959304
6.730140
8.428556
6.643712
8.761452
6.715125
8.753273
7.784494
7.722846
5.668950
6.180074
# Label of molecule (45)
0.719631
# Number of Instances of molecule (46)
3
10.498581
9.150137
9.735759
10.729508
12.601302
8.885539
11.253327
9.154802
10.279615
8.871950
8.734751
9.958768
9.518133
9.930072
12.505104
10.615192
11.760403
10.976574
11.787741
11.707939
11.920553
8.991721
10.945064
9.702383
9.625998
12.206092
10.618955
10.056144
10.878914
11.815722
12.253017
12.191127
12.065428
11.169661
11.578131
10.865906
9.967667
9.834679
9.258795
11.972842
10.020480
10.227924
12.237511
8.783867
9.113029
12.505778
11.600917
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11.899099
11.258176
12.261309
8.214244
9.357439
11.553357
9.015938
10.859091
8.662012
12.582804
9.734338
8.618440
10.250000
12.317510
10.457497
8.492447
10.770463
9.577044
10.205561
9.033972
10.525050
9.961125
12.384996
9.942066
9.475449
9.772402
8.472247
9.073188
10.712589
11.481858
8.629148
9.711232
11.269041
9.107932
10.006317
8.967716
9.537263
9.525409
12.172636
8.522589
10.892329
9.800973
11.239099
11.455997
12.027223
9.160348
11.725997
12.541941
11.674992
10.062705
11.164242
11.989865
8.719797
9.550221
8.743622
12.302888
11.650728
9.343437
9.053374
9.306757
12.005452
9.033164
10.935123
11.065561
9.308345
12.335353
9.510259
10.151182
11.377753
12.234267
12.299192
12.747126
10.071742
10.028700
8.930660
10.271400
9.144992
12.806222
10.934169
9.681649
9.481117
9.238365
10.656422
7.828660
10.404583
8.853377
8.975699
11.562667
10.742400
10.140928
8.668040
8.980665
8.570420
8.997920
9.943758
8.792182
6.329171
10.877655
9.163263
8.966077
11.626710
10.320667
9.942874
8.904778
6.702276
12.558546
10.323585
11.821191
9.295456
9.882394
9.584990
8.892608
6.103191
6.700670
10.038905
8.463680
9.419291
6.957156
6.916425
6.385159
7.148610
7.789743
5.435911
8.639012
7.020554
5.455199
6.255760
7.476867
7.494201
6.484161
8.128132
7.992264
6.008438
8.474578
8.013138
5.740730
8.787942
7.993240
6.105976
6.916669
5.411618
6.937544
8.418790
5.991592
6.626011
8.294397
5.791147
6.188620
7.273247
5.672491
6.206687
6.166768
6.213401
4.984115
7.288385
6.292993
5.112293
6.649327
5.848521
5.873058
5.973159
6.699255
7.369686
8.720191
5.283563
5.152333
8.288293
8.433317
8.656346
8.039262
5.959243
6.762490
7.836375
7.451353
5.175893
8.433805
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5.987442
8.117512
5.811655
6.874187
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8.603122
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6.590121
5.833750
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5.155385
6.414457
7.977737
8.336390
7.197806
5.964980
8.595920
5.468017
5.274285
7.747139
5.720954
8.551851
8.371548
7.230522
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7.321467
8.638524
8.294885
8.136067
8.069781
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6.534455
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5.999893
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6.113910
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7.421201
5.485229
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7.485900
7.484191
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5.224601
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6.205100
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6.345973
7.239921
6.611118
8.686254
8.437223
5.665899
7.286431
5.588137
7.698431
7.522889
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6.181417
8.854595
5.897595
7.830027
4.988876
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5.680181
6.144673
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8.163656
5.855846
6.560945
8.454558
5.948622
7.602847
8.871807
7.149220
6.418851
7.068285
6.555330
5.403439
7.810617
5.700934
5.164541
8.298669
8.121418
5.011216
7.550233
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5.392453
6.638096
5.296381
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6.140767
8.594089
5.741585
7.312189
6.706702
9.395016
7.884228
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7.000656
6.603671
9.061144
8.253868
7.231132
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6.532624
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8.089190
6.278344
9.413083
9.435301
7.690741
6.811319
8.589694
6.527253
6.789590
8.590915
7.224052
6.059465
9.542482
5.807505
6.920331
8.344447
7.151296
5.837413
8.444060
7.145192
6.030656
7.747505
8.056963
8.489837
7.780099
7.511414
9.345210
6.133320
7.835520
7.312433
8.414029
6.043962
9.676153
8.306238
8.324549
6.286889
9.460570
8.220054
8.648167
8.682592
7.967605
7.163015
6.012589
8.612400
8.717505
7.021897
7.516541
7.348445
7.145924
7.817698
8.883770
9.281854
9.710578
6.399319
7.237236
8.423429
7.799387
8.847026
8.364101
6.554598
9.320917
5.961562
6.347804
7.399960
8.847880
7.216117
7.442686
9.199576
7.190847
6.541658
8.065386
8.053423
9.277215
7.325251
6.779214
6.416288
7.208426
7.993484
8.145222
7.113697
9.373531
7.556581
6.314722
7.258110
6.491241
8.488983
6.240745
8.437346
7.457579
8.320887
6.379910
9.552614
7.871899
9.314936
8.762917
6.678747
8.119221
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8.305506
6.324122
7.881054
9.169668
7.238945
8.462981
5.951552
6.017716
6.530549
9.716437
8.233116
7.959670
8.172567
7.057176
8.785989
7.338191
8.212729
8.412809
6.809366
8.097369
6.402493
6.542024
8.425504
8.561007
8.337123
6.559725
8.143513
9.297113
5.962783
7.484680
6.879681
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8.326258
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9.405148
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8.441374
6.109516
6.099384
7.556093
6.148335
7.132618
5.884289
7.532777
8.839702
6.970626
9.210685
8.821879
5.928114
6.459868
7.976516
8.680517
# Label of molecule (46)
0.738378
# Number of Instances of molecule (47)
3
10.486327
9.069691
9.609543
10.243986
12.462333
9.184518
11.611811
8.954632
10.321825
8.599244
8.574620
9.795117
9.410442
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12.198074
10.718962
11.585836
11.264457
11.248206
11.394925
11.654172
8.651026
11.067740
9.641323
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12.419624
10.208472
10.202534
10.976983
11.453941
12.438142
11.745748
12.187435
11.250981
11.456291
10.902970
9.608786
9.828645
9.334286
11.653901
10.259639
10.373782
12.440384
8.602212
8.886605
12.476509
11.436278
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11.364286
11.508353
12.599003
8.584854
9.737791
11.311589
8.118916
8.689754
6.862451
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8.269498
6.875170
7.591744
11.224574
9.946095
6.725015
10.218626
6.930875
9.269779
7.212408
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7.488659
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8.391572
8.802734
7.758118
5.971222
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7.893021
6.170290
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11.183820
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10.457706
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10.033478
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5.754047
7.742033
8.536276
11.115949
7.486586
7.693720
5.737381
6.389253
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8.632254
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7.727269
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7.130665
5.541749
7.166189
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8.881939
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6.995895
9.030381
8.565401
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5.889172
5.992080
7.363338
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8.943464
7.252373
6.831950
6.219260
9.411985
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6.496612
5.444578
6.674841
7.716254
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5.524903
6.807047
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7.385434
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6.856975
5.641484
6.307154
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8.211142
6.704993
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5.773324
6.419828
6.184713
8.286340
8.937361
6.859294
6.233543
7.042283
5.770028
5.603519
6.548860
8.502289
9.222648
8.883160
8.599460
7.682806
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6.504791
5.592776
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5.698370
8.606784
8.061480
8.667333
8.589328
9.124744
8.940291
7.740913
6.958785
9.344356
6.011002
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8.845805
8.914533
5.589724
6.357936
8.671484
5.696295
9.330927
6.617344
6.430692
7.823313
8.023515
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7.346980
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7.841990
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6.844401
7.817087
7.143971
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8.360805
5.728034
8.772683
7.054003
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6.748695
8.135090
8.978133
5.979385
6.264061
8.347377
5.428709
6.201315
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9.056993
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6.036760
7.773629
5.668096
7.308039
7.930006
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7.165822
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6.516144
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7.102832
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6.877361
6.189474
7.275079
6.987350
5.837046
6.958419
7.424497
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9.047349
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9.166250
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8.801248
6.201559
9.204337
6.826579
5.356563
7.245537
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9.257073
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8.370205
8.290246
7.079760
5.511109
7.340022
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5.775033
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5.929945
5.545778
6.171407
5.386471
9.148671
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7.191946
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6.418851
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6.156514
7.254814
7.064257
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6.545198
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7.193045
5.850963
6.596835
6.741249
8.356288
5.492431
8.119709
6.351833
6.353053
8.653661
6.887249
8.572115
6.561312
8.266686
7.994949
8.216025
8.164754
9.222648
7.553163
7.933912
5.654790
9.280755
8.091388
8.477752
5.980972
5.657842
9.047472
7.333064
5.723273
8.173177
7.718207
5.594241
6.664586
5.820566
8.046709
8.955428
6.135640
7.648625
8.619236
6.694494
8.509003
8.817362
7.248833
6.524812
6.215598
6.711829
5.520142
9.187979
8.660863
5.984634
6.669469
8.663915
7.413266
5.402585
6.175924
5.874279
8.041826
5.373775
8.439177
5.751839
8.977157
9.029405
8.916974
5.552614
5.770150
7.734321
7.099780
8.285119
9.125721
7.904004
5.695807
9.131214
7.082812
5.999039
5.401852
8.735694
7.719916
8.576510
6.635166
9.236198
8.757424
8.268517
7.601505
6.911420
6.434477
8.568697
6.073626
5.321528
6.033708
8.294763
6.256615
6.814982
6.429838
6.609043
6.112934
6.278222
9.036119
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6.524567
9.003037
7.524476
8.367153
5.665166
8.543916
8.694800
8.291833
7.958815
6.445708
# Label of molecule (47)
0.301265
# Number of Instances of molecule (48)
5
10.713580
8.850316
9.546474
10.472925
12.266859
8.984725
11.287101
9.126695
10.639531
8.684537
8.479938
10.144510
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9.705306
12.550776
10.659922
11.611197
11.035380
11.497985
11.776523
11.485871
8.783759
10.835779
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9.669005
12.406390
10.589124
10.026608
10.632333
11.568457
12.398079
12.317184
11.920488
10.891137
11.839051
10.953263
10.009356
9.934656
9.112234
11.944139
10.304844
10.222581
12.250582
7.356239
7.898747
10.214543
11.344080
7.310277
10.521944
11.300523
11.962552
6.493339
7.126748
8.602415
8.559743
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4.973983
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6.243425
8.427571
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10.160269
5.388175
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6.906931
7.731335
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6.496154
10.630549
9.358102
7.402567
9.170868
7.432911
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6.690919
10.391899
7.076478
7.141644
11.031437
6.051097
7.428793
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8.169275
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7.727368
5.324429
8.443024
9.208615
10.091532
7.605275
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8.423327
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10.380572
11.040116
8.090197
10.000546
9.358015
6.771642
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6.437236
10.292347
10.169152
5.600508
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9.009000
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5.846573
11.908712
7.697510
7.753570
7.653199
8.523054
7.871231
10.321077
6.113692
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7.611873
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6.664942
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6.779100
10.112158
8.271535
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6.173358
8.101412
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10.219382
10.278712
6.601742
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5.793175
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7.213172
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6.138554
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7.567309
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7.321940
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5.480697
8.501663
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7.434126
6.343150
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5.202002
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7.693670
8.018387
6.555452
7.528626
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5.987930
8.606906
6.343287
5.990493
8.362514
9.028672
8.223350
6.012101
7.733711
8.393643
7.759713
8.385586
8.375698
5.666021
6.861492
6.634190
5.482421
7.370418
5.473632
5.107044
7.335994
8.097003
7.913038
7.793405
5.277703
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8.695288
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6.360866
8.689917
7.730049
5.757942
5.556887
6.817057
6.758461
7.866527
8.391690
6.850139
8.906476
7.390927
8.886090
8.296716
5.231681
8.548555
5.677252
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6.137104
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5.193716
6.579867
5.526490
6.189840
6.759682
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7.253105
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5.875134
6.841472
8.376431
6.534211
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7.588198
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7.875317
6.448881
7.370663
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7.403012
6.483306
5.237541
8.406583
8.903058
6.649327
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6.094256
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6.403958
8.352748
6.408231
5.308222
8.931257
7.673162
5.840098
7.737861
5.744148
7.252739
8.857280
5.867199
8.562838
7.955641
8.681738
5.221549
6.837565
8.908551
5.155141
6.551546
7.298517
7.519593
7.064623
6.583529
5.901990
6.927290
8.303552
6.886395
8.550508
6.444411
6.676107
6.751427
8.413465
5.525559
5.774712
4.935087
5.548631
8.437147
4.983062
7.784417
5.145787
8.752098
5.785333
8.108646
5.564257
8.602924
7.939451
6.163030
6.795007
7.624744
6.713218
5.605640
5.972961
5.143345
5.518845
7.883175
5.727103
5.479293
8.320200
5.921812
6.739463
6.244087
6.188910
7.998657
5.891903
7.503403
6.384594
8.665670
7.372784
5.683523
6.332469
5.605762
8.119633
6.094180
4.874538
7.292459
4.973174
5.943297
5.169958
6.328196
4.917386
5.719291
5.618336
7.339457
5.779473
4.816309
5.181188
8.300058
8.767113
7.275246
7.477401
8.159673
6.215278
5.517624
6.026795
7.651723
5.920713
7.947264
7.017426
8.156377
7.435896
6.292550
7.970702
7.493027
7.699087
8.568255
8.680807
5.517380
7.375958
5.526658
4.801538
6.398633
7.286966
8.478896
8.458144
6.450026
6.295358
6.355174
6.254952
6.391552
6.031190
7.886105
7.060152
4.914579
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5.859310
5.522263
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6.736656
7.382427
7.465194
5.008942
8.714743
7.954588
4.900174
7.797601
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6.529618
7.328349
5.706717
8.336680
5.827204
6.992157
6.673055
8.766625
7.531846
7.788446
5.084262
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7.795404
7.389630
8.389294
8.033937
7.921262
5.953307
5.572802
8.394543
5.101840
8.791284
5.375164
5.844172
6.085635
8.374157
6.126530
4.861843
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5.049104
5.075106
5.372845
5.751518
7.841304
5.081942
6.733726
5.235633
6.716636
6.557817
7.117283
7.969604
5.681936
6.517411
6.670003
5.285073
8.094241
8.625874
4.818140
6.598346
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6.112003
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7.594684
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7.385205
6.795953
7.541581
9.443007
6.420209
7.930998
7.454787
9.218390
6.326212
7.870693
8.515000
7.622150
8.544786
6.454390
6.601367
9.100589
8.702017
6.526902
6.266884
9.032228
7.319163
7.627277
6.084872
8.820063
6.015168
6.326701
8.676626
9.068972
7.076357
7.588702
8.292093
8.222877
8.268288
5.528947
6.821833
8.040132
6.765435
5.947905
7.112857
9.277474
8.072359
9.011597
6.463668
6.961852
5.811914
8.456404
7.175237
8.621937
8.256813
5.692282
7.030580
8.855831
9.476821
7.179266
6.579394
7.610431
8.978881
7.451979
8.102756
5.545549
5.715354
6.168004
7.131779
7.860439
6.332560
5.555193
7.396802
5.954253
5.537736
8.631581
8.080172
8.299661
6.458419
8.573229
6.249794
5.900540
6.867489
5.608051
7.347118
7.712363
7.152654
5.804712
6.604053
7.396435
5.900784
6.137730
6.265419
8.786981
6.976623
8.198950
7.490921
7.443190
7.966521
8.933958
5.811304
7.662435
5.866237
6.776177
9.015503
8.329081
5.884915
7.555010
6.340129
8.975219
9.241462
8.551012
7.841273
9.425794
5.827540
9.076662
6.819269
6.406171
7.614948
5.953154
8.174047
8.485092
8.676626
6.263344
7.563921
8.727897
7.702719
7.750084
8.246315
8.436506
6.883358
7.240547
8.470443
7.350414
7.032411
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6.301920
5.683126
8.829218
6.666555
6.751152
9.369640
8.052950
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6.080599
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6.683401
6.403851
6.168737
8.112644
7.744346
7.601398
5.801782
9.328013
7.763756
5.691671
# Label of molecule (48)
0.266387
# Number of Instances of molecule (49)
3
10.437221
9.096575
9.548655
10.252549
12.137699
8.868389
11.538270
9.434858
10.255899
8.573908
8.791531
9.646564
9.600175
9.890046
12.632857
10.732674
11.891349
11.180126
11.313186
11.668954
11.477912
8.962722
10.935259
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12.075005
10.329588
10.043966
10.963708
11.392764
12.338341
12.031168
11.950500
11.441995
11.237359
10.632712
10.055406
9.233781
8.944581
11.552349
8.271245
8.063319
12.220841
7.337347
8.293268
12.525945
11.028926
8.689894
11.122377
11.287312
12.356196
7.325134
8.137779
9.397507
7.516068
9.116427
5.183892
9.499140
8.722505
6.032789
6.734416
10.703368
8.371254
5.286425
9.129623
6.885394
8.239920
8.126387
8.852584
8.340824
11.401913
7.363761
6.547509
9.355722
4.952101
6.787340
9.331583
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6.124301
8.100959
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6.578119
6.073997
6.183636
8.132942
8.329187
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5.056045
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9.195880
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10.491002
6.790749
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9.448262
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10.074768
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5.651515
6.872921
6.416083
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8.311213
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7.592748
10.474212
7.886064
8.721601
10.252677
8.516927
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10.855260
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8.527046
7.528960
7.499962
6.525317
9.237455
8.825110
7.345913
5.780715
8.427575
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6.490294
8.008097
6.757615
7.919619
10.982137
7.285609
8.630188
9.753709
11.118837
7.194226
6.956246
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6.997489
6.138792
8.269551
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9.523386
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6.293485
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6.366101
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6.065447
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6.421903
6.059709
8.493744
5.793954
8.839946
8.801492
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6.645909
5.573000
6.933027
7.938063
7.048387
5.758431
6.473296
5.381466
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5.298578
6.089007
6.946821
6.099872
6.028825
6.548616
6.352321
7.603702
5.997574
7.114673
5.113880
6.432524
7.321467
5.986587
8.068682
7.909131
6.844401
6.454253
5.389157
6.360500
8.478118
6.138325
6.966597
7.041673
6.094745
8.690161
9.034776
6.457183
7.852000
7.329035
6.911664
7.456481
6.820475
7.589541
5.734016
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8.792215
6.654942
7.057665
8.313074
6.143452
8.651952
7.201346
5.778085
8.627415
5.280267
5.206534
7.647282
7.970656
5.155141
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6.242454
7.150929
5.233757
8.667455
6.043840
7.227714
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7.606632
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6.604526
7.706000
8.616184
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5.593875
7.272759
7.611393
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6.736000
7.759224
6.235984
6.673376
5.919935
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6.785073
7.043382
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7.368709
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6.756752
5.861583
5.444456
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7.801096
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7.872631
6.267357
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7.227348
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6.960738
7.328791
8.735450
5.233146
5.784555
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5.102405
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7.068773
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6.010758
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7.170827
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6.803873
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6.161763
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8.731300
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8.279046
6.646306
7.239463
5.589877
7.015580
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6.162893
6.692938
7.700049
5.942549
7.637669
8.297845
7.777444
8.555422
6.683782
8.620487
6.385189
7.922834
7.441618
5.209372
5.042985
8.489380
5.263451
6.148488
6.990188
5.684729
6.890698
8.626347
7.545625
8.505249
8.091906
8.748299
5.867840
6.525086
6.136647
8.466308
6.487854
6.211966
6.481262
7.499481
4.989639
7.423429
5.039201
6.123463
6.215140
4.956191
5.413358
6.700629
5.367336
6.027146
8.463866
7.827860
8.386593
8.557009
5.586337
6.977371
5.975265
7.135212
5.077776
5.503449
5.646764
7.539277
6.961257
7.892560
8.171987
8.682989
7.647923
5.129048
8.798837
4.869518
5.809488
6.055345
5.622105
7.226157
6.836741
6.596988
7.474700
5.189596
5.259178
8.731086
7.718482
6.925733
6.499939
7.072100
8.308222
7.550508
7.342494
6.949538
8.503784
8.031968
8.482665
7.852153
6.606388
5.647374
6.541932
8.115589
5.092303
6.868847
6.916700
8.726203
7.521455
7.554292
4.837901
8.117542
5.592318
7.318323
8.017563
5.834269
8.722907
6.957472
8.255242
6.937452
6.527406
7.805155
7.380947
5.027360
8.568972
5.890790
4.909558
7.759499
7.758400
7.780374
8.779916
6.725898
7.778665
4.969375
8.555544
7.580416
4.905652
5.706946
8.461547
6.279595
8.604129
5.124287
7.632054
7.317713
7.270714
8.543092
4.943861
5.826701
7.501679
4.837168
# Label of molecule (49)
0.251504
# Number of Instances of molecule (50)
5
10.158372
9.044605
9.730591
10.791858
12.713995
8.780314
11.262513
9.125968
10.086343
8.719588
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9.902091
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12.256129
10.643123
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11.148977
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11.708348
12.078997
9.035876
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9.496637
9.755748
12.140443
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9.604700
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8.715385
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11.599410
9.080979
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10.244655
9.335445
8.834705
9.306594
8.513696
12.015687
8.053949
9.951769
10.376161
8.195388
5.942520
9.022335
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8.313508
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7.950320
5.821838
5.854965
10.176713
6.981326
9.991605
5.406339
10.285473
8.605104
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7.216449
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8.235306
5.602620
9.720756
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8.460819
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10.035419
9.121425
8.852466
6.340157
7.669086
6.117739
6.512044
10.504487
7.877048
6.665983
8.502535
5.748075
9.026288
6.864686
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8.155927
10.182332
7.095432
8.918931
8.057734
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9.693077
10.524411
7.337211
10.502144
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8.534240
6.763340
8.346885
10.686247
6.094235
7.167992
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5.664145
7.278077
7.356391
8.309434
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6.640851
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5.492928
8.879470
7.739764
6.310736
7.918855
8.429498
8.682475
11.132186
8.214016
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6.739134
8.765293
6.471167
10.822655
7.839416
7.627063
7.255183
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8.380016
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7.198385
7.943626
7.078345
10.038475
9.529779
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7.788448
9.556141
8.000610
6.989984
6.590696
7.806910
5.101306
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6.197450
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10.366332
7.231503
6.250891
9.193874
6.927691
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8.987395
7.377623
7.929998
7.971595
7.347789
8.223248
8.571781
6.172086
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8.405622
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7.280709
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7.891324
8.332499
6.492965
5.757836
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9.144292
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5.683859
6.727103
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6.301431
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6.152623
6.872616
6.002594
6.212195
6.420087
6.220130
7.510331
9.153325
9.005493
6.728080
8.872433
7.925871
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6.991882
8.168432
5.721824
7.556108
8.862911
6.754204
5.391980
8.825190
7.049501
6.028840
6.308756
7.647542
6.460005
8.099704
6.158605
6.484909
9.163701
8.721793
8.539537
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7.475280
5.745491
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7.902783
9.029649
# Label of molecule (50)
0.184784
# Number of Instances of molecule (51)
5
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6.577349
6.803919
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6.445631
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7.460311
5.595996
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7.716666
6.737510
8.239387
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8.130863
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7.460921
6.496414
7.872311
7.822993
5.587207
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6.294626
6.539506
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5.668874
7.425031
7.384014
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8.285775
7.118015
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6.547929
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7.677847
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6.569414
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6.012268
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6.616535
6.311472
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5.869320
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6.473342
7.038545
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6.811365
5.571215
7.404401
7.601062
6.407788
5.760918
7.662343
6.799402
5.230995
7.954588
# Label of molecule (51)
0.275156
# Number of Instances of molecule (52)
4
10.363330
9.226403
9.646057
10.243753
12.612051
9.044539
11.293202
9.203846
10.477885
8.993267
8.597304
9.986311
9.203823
9.916800
12.510184
10.483171
11.501830
11.078928
11.474849
11.429189
11.906559
8.606267
10.632099
9.617251
9.794652
12.316787
10.354201
10.101082
11.120787
11.394240
12.249338
12.351135
12.155681
11.351262
11.450180
10.721158
9.673689
9.777934
8.955561
11.811444
10.018382
10.153192
12.190295
8.626377
9.244330
10.408075
8.738566
10.239178
9.635365
11.285350
9.516787
8.020861
9.809609
11.256382
7.280462
8.837249
6.971037
12.060095
8.085800
8.199908
7.491063
12.123443
10.687571
7.668862
8.307731
9.219330
7.046928
7.612829
9.006128
9.464507
8.799771
6.532724
8.798659
8.792697
5.566638
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9.671381
7.034885
8.041604
8.014192
8.058365
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6.499864
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11.107540
7.044090
7.302341
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11.576191
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11.072521
8.991325
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7.413646
11.131668
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7.200357
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7.568285
7.244057
8.045228
8.088443
6.284677
5.669301
7.567919
# Label of molecule (52)
0.299682
# Number of Instances of molecule (53)
5
10.701014
9.173334
9.518975
10.852747
12.404346
9.055638
11.327410
9.390052
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8.378384
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5.958388
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8.694189
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8.255943
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9.370479
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6.372585
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6.932417
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6.204001
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5.937880
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6.487823
6.906659
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8.071245
7.913404
6.002335
8.753761
8.865459
7.277154
7.386776
5.627079
8.660131
5.471313
6.452910
7.541078
8.911481
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6.880047
5.746712
7.788400
7.483093
6.994797
7.054979
8.086505
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7.446104
6.691931
5.883190
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8.810526
7.492859
5.811533
5.311518
8.001541
8.805277
6.824381
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8.553438
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5.054064
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6.638096
5.394284
5.183706
8.161580
6.282983
5.012925
8.450285
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7.225150
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5.098376
4.977035
5.692022
8.854595
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7.287164
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6.952071
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6.541948
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4.939360
8.309702
7.265114
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5.623829
6.049257
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5.944517
7.345195
5.173132
4.895901
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5.352214
6.805872
7.973632
8.591449
6.296335
8.666890
5.224525
5.901669
5.462447
5.994934
8.312754
8.732810
5.696341
5.868465
7.028901
5.994079
5.792901
8.767113
5.800226
8.032350
7.720084
7.250832
5.972961
8.697165
6.054140
5.631886
8.243538
7.587024
5.000641
6.512772
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5.349406
6.376415
8.067507
7.240333
6.911100
5.927061
5.938658
7.568834
5.512131
5.356243
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5.196326
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7.603259
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7.269631
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6.002747
6.759362
6.630085
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7.897580
8.247444
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8.032716
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6.100772
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6.184637
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6.815516
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6.802942
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6.102847
4.850734
7.387066
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5.358074
6.157414
5.319742
6.238105
8.205084
5.298502
5.379925
5.924009
7.355327
# Label of molecule (53)
0.252067
# Number of Instances of molecule (54)
3
10.725277
8.853858
9.803256
10.237831
12.220235
9.111950
11.061293
9.398861
10.429314
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10.712422
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10.127404
10.158843
12.342893
8.661155
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12.116105
8.092614
7.309742
10.469748
8.075484
11.527869
7.369931
8.813234
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8.778544
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11.153578
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8.453139
6.378735
6.580157
7.245094
6.798547
8.592669
5.029817
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6.240791
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5.376507
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6.837001
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6.844935
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7.888302
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6.778115
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9.241081
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6.568514
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6.155171
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5.436766
6.281640
7.488220
6.360012
6.458647
8.509735
6.916791
7.381649
8.642308
5.515625
6.555086
6.468047
7.079516
8.554415
6.509919
6.762734
5.661626
7.889599
5.733161
8.625950
8.395962
5.691656
6.148457
8.668920
6.435209
5.427732
6.426298
6.468535
6.192526
7.619449
5.781991
7.836375
5.916395
7.841624
8.172811
7.517151
6.103168
6.839640
7.267876
8.192465
9.118885
8.638524
6.567171
6.663610
5.407712
8.518159
7.043138
8.089679
5.662603
6.732093
8.681738
7.154714
8.329066
5.843272
6.295923
9.040269
5.822153
7.550966
5.988662
9.076647
6.829264
6.886151
6.638218
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7.648137
8.782571
9.339228
6.907514
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7.276910
8.854595
8.135578
6.810587
6.100604
9.160634
8.396695
8.476287
7.685980
6.150410
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7.668523
7.146535
9.051012
6.259301
6.311304
7.778634
7.332575
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6.804849
8.210898
7.298029
5.385739
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5.364498
9.093616
5.950087
8.890484
7.390805
8.392056
5.726203
9.257805
7.163747
# Label of molecule (54)
0.242999
# Number of Instances of molecule (55)
4
10.372286
9.241597
9.310321
10.423063
12.202474
8.850983
11.203595
8.973473
10.188726
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12.248601
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11.567922
10.966853
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11.919643
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11.116853
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9.549700
12.045718
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10.651333
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11.418338
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10.678303
10.104570
9.538684
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10.503142
12.798434
8.838414
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12.438455
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8.401951
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6.438305
12.579923
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9.747752
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9.400158
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6.244703
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9.041313
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7.392233
5.726222
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6.256910
6.401945
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10.016937
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10.363616
6.220703
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10.148444
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10.785503
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7.208084
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7.859526
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5.987541
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7.446471
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8.565035
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7.891797
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5.634281
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8.103107
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6.261376
7.132984
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8.305994
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7.241020
6.045061
7.112842
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7.815134
6.891034
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5.398923
8.013627
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6.788614
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6.906171
6.002701
6.506989
5.581912
8.185141
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6.992477
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9.054353
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5.820124
6.987030
6.398999
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7.001801
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6.365917
8.683859
8.269173
6.043031
6.557085
5.938292
8.456191
5.465621
6.095767
6.065737
6.089053
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5.139195
5.438520
5.787774
8.108890
8.006592
6.232368
6.860561
5.147130
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6.660115
9.048128
5.153600
5.366619
7.072237
7.790155
8.971221
5.837214
7.801386
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6.788293
9.011994
8.621601
6.460646
6.236152
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5.701224
7.997436
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8.503555
5.977477
8.662008
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6.492019
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5.388958
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7.483627
7.999145
7.488510
6.869961
5.985168
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6.653890
6.003967
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5.715873
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7.150731
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6.771081
6.604328
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5.671957
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8.954405
5.965667
6.529038
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9.146306
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7.946074
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6.658437
7.934843
8.269570
5.501907
6.383282
8.420087
9.201117
5.454787
8.273476
7.682394
6.455184
8.032380
7.459120
7.934477
8.240883
6.008759
9.225043
9.045473
7.586688
6.509262
6.957030
5.989471
8.503708
5.875698
8.862606
6.599719
5.356883
8.526414
7.838893
8.500656
8.824396
7.681906
6.865474
8.096347
5.816004
7.833155
6.294168
8.487960
6.730094
6.826899
5.414014
7.195807
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5.443922
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6.561144
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6.342753
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7.702780
6.567370
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6.903439
9.152165
7.252815
8.909726
7.300424
8.666433
7.117801
5.277169
8.756523
8.859310
6.431867
7.271981
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8.661428
8.519944
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5.403882
5.627400
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7.854640
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6.907834
6.732170
8.836848
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5.777673
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8.276894
8.259438
8.261757
7.413221
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7.576800
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6.288308
6.240822
7.438368
8.789850
8.818171
8.218055
8.510544
8.530808
# Label of molecule (55)
0.289492
# Number of Instances of molecule (56)
3
10.463550
9.018611
9.555489
10.234686
12.498050
8.718984
11.542460
9.194896
10.642641
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10.515147
12.593244
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8.196794
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11.382658
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10.958709
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12.078081
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7.953444
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6.576205
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8.132405
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6.809977
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7.333918
6.167257
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4.949568
8.648045
5.347407
6.397122
5.710089
6.548860
5.372921
7.998001
7.307062
7.990677
6.808023
6.107562
7.555483
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6.717322
8.098590
6.040422
4.946272
5.585330
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6.406888
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5.571657
7.841868
4.924055
6.894696
7.477233
5.713507
7.697699
5.094226
7.796823
6.228172
4.905744
6.358913
7.231864
7.450011
8.433073
5.655034
8.040239
7.250053
5.278314
8.741066
7.595279
8.603122
5.111316
5.037950
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5.750740
6.351711
7.555483
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7.107715
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6.745766
5.386349
8.784280
5.624760
7.164113
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6.601474
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5.807749
5.389035
8.473968
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7.033738
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6.764931
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6.372707
6.242332
5.353267
6.593661
6.775796
5.132923
5.153554
7.664373
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5.384884
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6.816691
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7.933180
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8.834086
6.935469
5.427366
8.754860
4.994003
7.837474
7.334407
8.616794
6.982223
8.186605
5.731819
6.377590
# Label of molecule (56)
0.332687
# Number of Instances of molecule (57)
3
10.515436
8.781948
9.524173
10.796828
12.579978
8.820893
11.160927
9.163383
10.166955
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11.342613
10.917648
9.999973
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12.027262
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12.232592
6.417305
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5.641850
6.943159
6.243675
4.849467
8.551973
5.967666
5.101184
6.633457
5.312372
8.702857
5.990005
7.827830
5.061876
6.483795
6.224876
7.523377
8.619602
8.275475
6.058245
8.640110
8.162191
8.740944
6.541780
6.008194
8.362392
7.554018
8.785379
6.879803
6.363186
5.828745
6.989425
8.744118
5.962539
7.540345
5.626957
5.323603
7.384579
7.813669
5.147328
5.624393
8.011307
7.954543
6.579623
4.915632
7.450865
7.096973
7.408994
8.514985
8.316004
6.344142
7.101856
7.251762
6.088885
7.274957
6.653722
5.487671
7.447081
8.694189
8.536592
8.564302
6.424711
7.498230
5.418455
6.556185
5.785287
7.535463
8.032792
5.205557
4.980331
6.330714
8.569918
4.908673
6.068377
7.554994
5.967788
6.633824
6.970748
5.109485
5.476073
5.643315
5.437620
6.704749
6.868572
7.895947
7.100513
6.803995
5.678594
6.002335
4.985092
8.811380
5.833872
5.612552
7.860912
6.375149
8.063921
7.106250
8.800638
7.685125
8.456267
5.463012
7.326594
8.635228
7.535829
5.188467
8.518036
6.729774
8.243492
5.168569
8.452849
5.606449
7.186941
6.329615
5.362667
6.051531
5.541139
4.977401
5.871838
5.381588
7.971023
8.691748
5.698370
5.068712
7.953810
5.649174
6.190329
8.482147
7.874096
8.252770
6.073626
8.621311
8.267296
5.938856
5.785531
7.718085
6.587069
8.041093
7.769112
8.579440
7.870556
7.581606
6.103046
7.547792
7.677313
6.869549
4.843974
4.953841
5.677007
7.776925
6.452788
# Label of molecule (57)
0.247138
# Number of Instances of molecule (58)
4
10.641136
9.018611
9.301124
10.496205
12.461206
9.113466
11.398164
8.919433
10.184694
8.744683
8.515192
10.138868
9.674635
9.876522
12.559813
10.381347
11.436213
10.838192
11.767816
11.465135
11.704027
8.734291
11.011617
9.344177
9.547604
12.053508
10.267328
9.716122
10.959765
11.919927
12.506044
12.253110
11.736208
11.298619
9.528850
8.914171
8.988864
7.813933
6.640379
9.361795
7.521782
9.079416
10.591362
8.739048
7.618144
12.156712
11.679047
7.790063
9.998656
9.155367
12.728864
7.372042
9.348276
11.774812
7.702406
10.953846
7.641110
10.795081
7.231033
7.939162
7.936709
9.758793
8.824215
7.977167
7.924846
6.988220
8.517273
6.951495
8.450313
8.019935
10.901106
7.716842
6.000530
6.186061
7.529777
7.321226
7.095108
8.073904
6.246041
9.361156
10.823574
6.773500
7.284233
6.298574
7.428019
6.615750
9.591902
5.724596
8.730953
7.753315
7.642766
9.382208
8.434432
8.697446
10.154808
10.083578
11.022588
8.240896
10.166159
7.419203
6.754868
6.921352
6.734721
9.710366
10.604523
5.690383
5.916282
6.792025
8.026721
8.308568
7.659749
8.447314
6.770404
8.424073
5.991803
8.680455
9.261226
9.712192
11.114661
8.638035
7.144840
7.606750
6.484607
8.345943
6.194389
9.643152
8.442516
7.547536
7.499163
6.577670
8.272795
6.605865
8.198430
7.862615
6.350984
11.369931
9.433381
10.313244
6.718214
8.757631
10.089072
6.045422
6.726634
9.529514
6.774634
9.467042
7.603455
7.258227
9.630311
9.894895
7.062603
8.745146
7.091870
8.718513
7.205938
10.168176
8.715665
7.457339
10.484658
5.563922
7.797928
7.212624
7.110764
8.178978
9.803174
8.128212
6.781335
7.126682
6.991546
7.562731
9.185705
7.062471
9.027497
6.491775
9.012604
6.472854
7.976196
5.936949
9.064364
8.273202
8.577776
6.596271
8.565813
5.905820
8.439833
7.332255
8.716697
7.785760
8.773461
8.629170
5.705008
6.986541
8.527970
6.478591
8.555925
6.045473
6.297922
5.570605
9.191809
8.759789
8.380016
6.664266
6.078310
8.849269
7.351909
9.013337
8.831935
7.363384
9.550951
6.720298
9.161412
8.703635
7.824946
7.897214
9.522874
7.138279
5.932798
7.504135
6.858852
5.685476
6.967376
6.743736
6.799768
7.237159
8.177374
5.884701
5.699393
7.800897
6.562334
7.390362
7.883541
7.734001
5.616993
8.226569
7.482406
6.844203
7.597644
6.224555
6.226264
7.233619
5.687796
7.374004
8.574969
5.758110
8.437513
6.919034
9.559496
7.981079
6.850185
7.135960
8.709128
9.492355
8.494278
8.664937
9.439863
8.470840
9.011628
6.270089
9.278359
7.363262
9.400800
5.906919
8.297006
7.556139
9.448042
5.966857
9.134922
6.913663
5.681692
7.577990
7.979858
8.058962
8.225959
8.834742
5.886166
7.271584
8.926176
7.832636
7.803705
7.878292
7.124485
9.383221
6.691977
8.009766
9.458541
8.282235
8.096805
6.600421
6.056948
8.008911
8.561052
9.505295
7.511093
7.728996
7.247658
7.608264
8.992706
8.478530
8.148198
8.798853
5.896054
7.400494
8.251839
7.690054
7.379009
6.913785
9.051302
6.953948
8.176641
7.683950
6.758385
6.149358
9.063509
8.276009
6.607501
7.916623
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6.945463
5.715079
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7.625782
8.425489
8.832362
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8.088687
5.109348
5.883908
7.286416
7.664724
5.390728
5.674917
7.788751
6.076418
7.169591
8.568438
7.909238
8.286203
5.214209
5.993652
6.568377
6.022217
5.838374
7.516404
7.173498
8.861171
7.038972
7.150182
7.877132
7.738334
5.470565
6.786401
5.610462
7.764214
5.630238
8.615070
8.264351
5.219825
8.628986
6.413343
7.393597
5.607532
7.923032
7.576952
5.820063
5.629994
5.382061
7.767388
8.509842
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7.068270
6.052492
7.096713
7.783258
8.100528
6.413587
6.432264
7.659841
5.980468
5.495224
7.531053
8.130558
7.754082
8.471389
7.291787
6.391614
6.384045
8.904874
5.365825
6.243294
7.708548
6.473281
6.548845
8.078310
7.360393
6.437025
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5.798212
7.022492
6.725120
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5.394391
8.512650
6.270150
7.060945
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6.728050
7.922300
6.426771
6.152959
6.871242
8.709189
8.723228
5.361431
6.491348
8.377270
8.458815
7.406781
6.126713
6.335337
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7.480880
7.633106
8.767541
6.921903
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8.636189
8.389966
7.570849
8.068300
6.271126
8.260689
5.944823
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5.205298
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9.019379
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6.767724
7.921812
8.675130
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5.757195
6.712668
5.871944
7.524461
7.047151
6.286508
8.462111
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6.131840
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7.331553
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6.705191
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6.363506
7.553362
7.149052
7.111332
8.619678
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6.126072
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6.876461
7.459120
7.760887
7.803613
6.205176
8.762017
9.098086
8.415815
5.891812
6.096042
6.362529
8.439741
6.956664
6.273049
7.739647
6.418439
8.985412
8.074007
5.903531
8.661306
5.404370
8.464522
7.632588
8.500168
8.778619
5.363475
7.884182
7.789331
8.508469
7.842067
5.707236
6.522202
5.300485
6.626331
5.364574
8.440596
8.785333
7.781640
8.040803
8.509934
6.660024
6.449324
5.512162
6.138035
7.729148
7.514664
5.152409
6.010956
7.217536
6.078951
5.648030
6.419660
8.734184
6.611560
8.801691
8.955748
7.256600
5.655965
6.794061
5.447829
7.516251
8.966735
6.284280
8.016266
6.155858
7.949492
8.719413
6.118992
8.035310
6.282327
8.230018
8.465499
9.061586
5.591021
6.487777
5.672567
7.916288
9.053529
5.898282
7.537004
7.058229
7.809839
8.504563
6.801019
5.371899
9.051698
5.976531
7.284188
6.841792
6.666250
8.062654
8.258461
7.623920
5.309885
6.875729
6.939451
5.890713
6.786859
8.390667
6.970580
8.825373
5.606891
8.528123
6.773919
5.138005
6.598376
5.198553
7.643696
5.482253
7.450941
7.683615
7.456679
7.143193
7.062258
6.725700
7.874538
5.375439
6.565050
6.707144
8.914121
7.764061
7.908841
7.286752
6.759026
5.982757
8.870907
7.875027
8.689261
5.328440
7.372082
6.318827
9.002258
6.400616
5.972991
5.172185
7.801294
7.306894
5.423536
8.928892
8.527146
8.765801
6.143651
5.589068
8.104892
6.483139
6.507309
7.939848
7.584735
5.177435
8.807062
7.918119
5.149236
# Label of molecule (58)
0.235444
# Number of Instances of molecule (59)
4
10.424577
9.117945
9.648656
10.564900
12.119809
9.164708
11.342948
9.096476
10.539990
8.854282
8.660578
9.816326
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9.633370
12.569967
10.363946
11.307856
10.823228
11.522735
11.473338
12.068916
8.679560
11.187276
9.582018
9.633226
12.155829
8.323992
8.180065
11.201236
9.241280
12.344893
10.907861
9.593292
10.871848
9.473931
9.172720
8.344023
7.572545
7.988320
11.833421
8.161471
7.757092
9.375456
7.527641
6.767334
12.517681
8.809193
10.090111
9.309555
11.417158
9.775557
6.018099
9.061322
8.766798
6.746730
9.860350
8.055224
12.224063
7.441351
7.925045
8.248208
11.438243
10.938557
6.578049
7.695153
8.355056
9.121701
8.150292
6.416570
7.275976
9.581182
7.386770
6.553658
7.021774
6.799056
6.024369
8.338956
7.911226
7.914666
8.968837
8.773851
6.516723
8.913558
6.845169
8.387174
6.868681
10.840974
5.392637
7.805659
7.581243
8.372706
7.901335
10.243440
7.607186
8.445777
11.202905
8.304179
7.052275
8.076657
8.508644
8.111224
8.476563
7.266253
11.034359
7.602023
5.868174
7.009474
6.572634
8.388121
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7.080597
10.122831
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8.121246
8.739562
6.982788
9.857403
10.828865
10.458891
11.633711
7.587929
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6.993566
7.054231
6.568004
10.369393
9.851048
8.750561
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8.852700
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5.096486
7.282942
5.253815
8.144672
10.931571
9.259226
11.200658
7.025647
10.190218
10.296809
8.314951
8.693910
9.165489
5.540864
6.749023
8.864303
5.313050
9.065117
8.450228
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9.821687
5.172923
10.433316
9.207300
10.273991
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10.152516
9.009360
7.571307
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6.645344
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5.788141
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8.565691
5.346355
7.805048
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7.114353
6.666707
8.833399
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5.934751
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7.003998
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7.841060
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8.710471
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8.585101
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7.557482
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6.572832
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6.368603
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6.701254
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6.454421
8.464248
7.033784
8.141240
5.752983
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7.306742
6.438795
8.063234
7.514267
5.992126
8.998199
8.235481
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8.225837
5.528123
8.112064
6.884610
6.674154
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6.126652
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5.848811
9.234779
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6.122135
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6.433180
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6.565874
6.096255
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8.039552
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6.051943
8.898221
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9.079501
8.330699
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5.509201
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5.518967
7.194433
9.145054
6.340281
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6.088198
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6.688314
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6.107730
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7.156590
6.460280
7.897824
5.934874
6.174383
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8.057802
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8.086978
8.759606
6.200568
8.447829
5.398541
9.140843
7.560961
7.751152
6.161504
6.338633
7.025788
5.954833
8.472854
8.172308
5.730461
5.772088
6.538347
8.614093
5.310892
8.959075
7.634693
5.941771
6.706198
9.009491
6.094974
8.445265
8.421705
9.091769
8.693930
6.562273
5.627796
7.103549
7.804132
8.319895
5.470809
7.717826
8.703696
8.954924
7.968322
7.296426
7.405072
7.588672
7.866146
7.545824
5.383038
5.833003
6.831324
7.790338
5.576647
5.199194
7.356243
7.736747
8.038514
6.187384
5.747673
6.607196
5.608386
5.930906
7.578295
6.513443
5.985473
5.269631
6.972442
5.948485
8.572588
6.128910
9.104465
7.270425
6.470595
6.077029
5.281350
8.053896
5.995727
6.938749
7.988464
8.182928
6.093875
8.336863
7.268349
6.561296
6.031129
7.040437
7.813288
7.315958
7.730033
8.990814
8.141789
5.365825
9.130589
6.883328
5.237281
7.234657
6.950224
6.179083
6.021973
8.979461
5.215674
8.420118
9.041841
7.112461
7.944761
6.725242
5.737419
8.389843
8.350414
6.340831
8.676962
6.341441
8.944304
9.120334
8.122501
6.420301
8.912564
7.603336
9.103748
5.969008
8.775124
6.551302
7.227958
5.654180
6.332301
7.630436
9.076525
6.126484
6.506867
5.430906
8.893780
6.263695
8.560396
7.087817
8.708106
7.954176
8.911115
8.507294
5.223136
8.584567
6.553011
8.334437
6.609775
8.456877
7.811960
5.539064
7.568667
6.011612
5.810923
8.493866
9.043321
7.728584
8.023637
5.417844
6.955855
5.583987
7.285821
8.064776
8.341639
8.936872
5.646489
6.526276
7.256035
7.719306
6.426542
7.029221
6.831462
5.807505
7.865062
6.598422
7.857006
5.447508
5.726569
8.462981
6.255516
5.609012
6.243553
8.078814
7.836009
7.146290
8.770730
5.644047
6.693274
7.636540
7.523865
6.981491
7.631046
6.774453
7.781808
8.662816
6.983810
5.196158
5.921766
5.249992
8.212607
5.607059
8.667943
6.530549
6.647496
7.090136
8.924177
6.616611
7.755806
5.469115
5.568972
8.789895
5.307245
6.600375
8.585788
7.961135
7.812571
5.470580
8.903790
6.623203
7.611393
5.973159
6.325953
6.170797
8.982894
6.240257
6.916669
5.462401
5.654668
8.403653
7.226005
8.499847
8.086749
5.660527
8.724708
9.098743
6.900922
5.519776
7.825388
6.428007
8.836772
6.101581
8.864360
7.290826
7.603946
8.367519
5.419187
9.021226
6.008927
5.155385
5.338130
6.875652
7.730171
5.893933
8.854595
7.789621
7.115772
5.871105
7.162282
6.377102
7.380551
6.933149
6.827799
9.047838
7.576846
6.488189
7.412534
6.115253
8.712012
5.689215
5.681158
5.773812
7.391537
5.671880
5.771737
5.816172
7.359310
6.721717
8.700171
8.969100
5.310907
7.246757
8.576876
5.720710
5.357295
5.428953
8.909528
6.516511
6.509308
# Label of molecule (59)
0.218640
# Number of Instances of molecule (60)
5
10.709546
8.844664
9.522810
10.805294
12.259161
8.892939
10.992043
8.948961
10.307541
8.758243
8.313155
10.046175
9.279255
9.781866
12.761832
10.721584
11.903182
10.845062
11.469427
11.589649
11.503617
9.076825
10.729647
9.701157
10.021421
12.526678
10.719618
10.000190
10.726366
11.923857
12.544249
11.950385
9.925914
10.960663
8.751107
10.015073
9.536238
9.994628
6.748935
9.411934
10.196222
8.357560
12.506756
7.469161
7.409721
10.875487
11.145543
9.893103
9.592900
10.491303
12.655070
8.212071
7.309240
10.154097
8.703598
8.966702
7.936775
12.175818
8.040673
7.218098
6.412360
11.012227
9.494049
6.748901
6.921103
8.670862
6.715767
7.787472
6.982253
6.333371
10.582797
7.280511
8.279352
8.904373
5.202392
7.310037
7.054474
9.534510
7.195099
8.572677
11.030170
7.643849
8.973851
6.927774
6.378585
7.054345
9.928222
4.872180
9.736474
9.432650
7.204533
7.948381
10.220126
7.668364
9.705673
7.956312
7.893183
8.517577
10.089239
11.034668
5.541378
6.316865
6.936043
10.654391
7.257756
6.138778
5.293695
7.506104
9.087709
7.581318
8.631236
7.386394
6.002318
10.229344
8.479198
9.299844
7.879889
9.396762
10.945519
8.023238
6.805683
6.318901
5.648591
7.473159
6.922845
11.190520
8.081882
6.941788
8.070825
7.421805
8.439930
7.765899
9.062781
7.100035
5.572016
11.364273
9.048011
10.458083
8.626700
10.600489
9.404268
8.389237
8.764534
8.492766
6.138603
9.538670
6.384897
6.797378
10.569918
8.432334
8.308253
9.699471
6.607363
11.352336
8.150803
10.294080
9.956151
8.590988
8.718294
8.129849
7.810626
7.364106
7.118410
7.369692
8.666542
7.053345
6.452666
6.874187
6.588046
6.016495
5.463988
5.547487
7.422910
5.553713
7.939405
9.061144
6.758950
5.492065
5.379635
7.336726
8.500336
7.556948
7.458678
6.672521
7.518006
8.594211
7.633000
6.573397
8.538545
6.631993
6.152242
9.013047
7.867870
8.060991
6.840983
8.999130
5.326411
7.804392
6.030412
9.319941
7.770211
8.357265
6.012833
8.343593
7.572451
5.567141
7.394467
7.748482
5.441771
7.032640
8.721900
9.058214
8.951155
6.991989
7.757393
5.855358
8.151814
7.581973
8.776955
8.551363
7.650090
6.336695
6.266869
8.583956
8.518281
7.804270
5.394650
6.921918
7.417295
7.155934
5.626835
5.747566
6.305445
7.661931
7.871654
8.194540
8.107624
7.909986
7.519105
9.015244
7.720527
8.640477
5.755501
9.053209
5.729499
7.074267
5.525269
8.394864
6.210227
8.607761
8.517304
7.075976
5.992325
7.748970
7.548891
8.218101
8.758156
8.173055
6.723426
8.469451
7.352840
5.767586
7.737007
6.625034
7.680975
8.547090
6.707312
7.302789
5.562380
9.307611
7.902417
6.547884
5.926160
8.900739
6.741371
8.242759
7.713569
5.998306
8.445158
6.195944
7.868358
7.224906
6.708777
8.787210
7.787057
5.531861
8.774514
9.039781
7.606021
8.689673
7.275567
8.999985
7.698675
5.771249
9.231071
9.295038
6.759072
5.503540
6.562044
8.745582
7.846263
6.360378
6.508087
8.908185
5.764779
8.273278
6.315332
8.422697
7.156301
5.833384
6.574374
6.039201
8.675878
8.862407
7.580874
9.199454
8.631077
6.223655
7.095019
7.047533
5.455687
6.751747
7.874096
8.747047
6.395169
9.173818
5.353755
5.975234
7.777047
6.897870
7.852733
8.474822
7.372936
7.229865
6.015351
8.790704
7.185919
7.961699
7.383190
8.221473
8.043611
5.277413
5.255074
8.521653
7.435804
8.400067
7.193487
7.935087
5.734581
8.813532
7.773339
5.329295
5.415113
8.516648
8.455611
5.554521
5.423414
7.456435
8.045076
6.668813
7.068972
7.015381
7.110111
8.907529
5.815027
8.429609
7.738304
7.267708
5.343089
7.010132
8.001862
7.586444
8.264809
5.045595
8.510788
7.985748
7.857448
8.258583
6.425642
5.558672
7.199347
8.691214
6.306986
6.174657
6.076510
6.896847
7.174688
5.275094
6.039521
8.310709
7.154668
5.537309
5.982391
6.674184
5.085757
7.280160
6.621326
5.391064
8.462325
5.486770
8.245766
5.686605
7.087771
5.320505
8.118320
8.446699
5.815149
6.006195
5.898160
6.611927
7.747215
8.955504
7.463149
7.002197
5.272897
8.007721
7.504166
6.443709
6.315775
5.664998
5.269845
5.078433
5.166204
5.192083
5.832728
5.725913
5.277169
6.460433
5.255318
6.176244
7.393567
7.408094
8.029206
5.287179
6.394024
6.992920
7.161748
5.760704
6.218116
7.511856
7.287484
6.475082
8.254555
8.163244
5.177313
7.245613
6.564806
7.726096
8.021393
6.890744
5.319163
8.230995
7.859645
5.477615
7.816919
5.499466
8.537034
7.622944
8.468429
6.424055
7.556291
5.721519
5.113102
6.866573
5.204413
7.982696
7.048585
6.047945
7.327769
6.143284
8.144566
7.306284
6.129734
7.737571
8.419477
5.095279
5.368358
7.795557
5.451125
8.102084
6.326151
8.846248
7.000488
6.354961
8.928892
8.101230
6.218970
8.200720
8.387249
8.692190
6.818598
7.021607
5.737877
5.838343
7.577166
7.572039
8.657399
8.819025
8.630955
5.331294
7.101001
5.775033
8.611423
6.870891
7.795358
5.246574
7.144459
5.607669
6.282250
5.489990
5.198843
5.500244
5.256829
5.000595
5.679571
6.123310
8.566744
8.618748
7.757149
5.842540
7.568911
7.685492
6.095721
6.920087
5.823252
6.816324
7.355159
7.423765
5.495849
5.165395
6.339869
6.816568
4.848613
6.058245
6.173116
6.100970
6.190329
6.866375
4.868267
5.392453
7.663274
6.998825
8.674047
7.797922
6.240135
5.885998
6.568270
8.473479
5.308466
4.831034
6.275048
5.737800
6.214743
8.602634
6.180197
5.114612
5.144032
8.645848
7.520203
5.179312
6.712683
7.784616
5.219352
8.086016
7.644108
8.291467
5.751473
7.649480
5.907971
7.199759
6.397977
5.855846
8.694189
4.732643
8.281579
6.679113
6.597446
5.724982
5.546754
6.076067
7.388730
7.910962
7.064867
7.036912
4.747047
4.955306
5.036729
6.565340
7.327448
6.102191
6.869793
7.463439
7.539369
8.313807
8.702002
5.794931
7.412168
6.778237
6.950850
6.905805
4.919904
7.659612
6.260033
4.871807
6.143818
4.964095
8.219932
6.252464
6.644322
5.399167
7.235282
5.023789
7.419614
7.099292
5.918470
5.566774
4.825175
8.094440
8.379604
8.583834
7.829295
6.395535
7.789987
4.821757
5.979019
7.572329
6.595126
7.473693
5.452513
5.697272
5.750618
8.134846
8.572848
5.534181
5.355708
7.189383
6.155660
7.840648
5.061998
7.501282
6.071184
5.665654
6.628819
6.284814
7.388363
5.512574
7.003098
6.029679
7.483215
5.245231
8.297449
7.356380
7.480773
6.610752
5.041246
8.675634
7.409482
6.254418
7.081713
7.527528
8.440397
7.102588
6.505402
8.476043
7.066118
8.537111
8.353023
7.489227
7.861187
8.388668
8.048082
7.260704
5.202292
5.806070
6.762154
8.246696
6.965163
6.107471
5.235008
7.613254
7.358608
6.049364
8.592654
5.812418
5.864299
7.425138
8.688238
5.034318
8.823740
7.341273
8.529786
7.027299
6.049242
6.048631
8.167714
6.159230
4.833262
7.204794
5.419950
7.598117
5.730995
7.438566
6.806101
6.481872
6.491394
6.096484
6.068651
5.958174
6.512391
8.042955
5.655431
5.964522
6.192801
6.389950
6.536561
8.626347
5.560213
6.032151
5.734046
8.147084
8.544679
6.860912
6.936232
7.065752
5.277490
7.533296
7.573580
6.756417
6.788156
8.671148
7.729835
6.044359
8.474609
8.364132
8.265496
7.815775
8.721076
4.853038
7.525239
7.493377
7.041459
7.267785
8.008286
7.254357
8.118763
5.294214
6.373226
5.866863
8.119739
6.647160
6.154469
8.016465
5.656652
5.221458
6.564394
7.001541
5.774087
8.799203
6.757027
8.670537
7.332240
5.185080
6.926099
6.475402
6.164968
7.648778
5.616367
7.519257
8.386227
6.543886
6.618839
7.468108
6.219291
7.984481
6.827830
6.208426
6.725043
6.448912
6.433775
6.119068
5.803262
8.191153
8.827403
4.836680
5.842570
8.328242
7.589084
8.388180
5.393704
6.485656
7.939802
8.564699
7.241783
7.870830
8.027451
6.413877
5.250511
6.650945
7.424528
5.723914
8.357173
6.511658
8.212027
6.373714
6.087939
7.269738
8.023057
5.427274
5.975631
8.415525
6.424131
7.843120
7.246788
6.459777
8.005844
6.677557
5.159688
4.961318
7.560030
6.654363
6.365780
6.107837
8.718757
6.977004
5.668126
6.727241
5.427152
5.257103
8.554689
7.603977
# Label of molecule (60)
0.240293
# Number of Instances of molecule (61)
3
10.438360
9.014477
9.595820
10.832865
12.325996
9.234262
11.197229
8.996053
10.093946
8.665037
8.493795
10.123320
9.524004
10.048774
12.768813
10.681363
11.578223
11.278920
11.529088
11.554076
11.954483
8.977024
10.709014
9.389589
9.756851
12.224516
10.257777
9.897074
11.066915
11.533543
12.527209
11.724552
12.327174
11.434083
11.285526
10.903776
9.184262
9.177559
8.244723
11.093531
8.393028
8.198691
11.034991
8.365072
6.638151
11.980359
11.615297
9.985614
9.057255
11.416642
11.732552
6.105822
8.473025
7.683965
8.739846
8.710880
6.038016
11.080378
7.619301
7.883604
6.323390
8.663348
8.432850
7.008082
6.781763
8.491521
9.086067
6.285420
6.644180
7.134086
7.613885
7.828539
6.673774
6.980901
6.610525
7.414499
6.563965
9.881301
7.922795
8.373819
9.040560
8.431510
8.945898
8.335121
8.993061
7.067758
7.634954
6.116700
8.139384
6.769529
10.179156
10.113417
10.951757
5.644738
10.366372
8.891123
7.468234
9.481355
8.847648
9.661212
7.290662
8.906480
5.380870
8.531544
7.727919
6.147589
5.637234
6.012994
10.691724
8.578524
9.764311
9.687056
6.864573
8.768299
7.281622
9.011822
10.924035
10.422234
8.277150
10.052892
6.345185
8.576696
6.397475
9.077959
7.638355
9.418346
9.336351
7.912062
7.221742
6.859189
10.655132
7.559281
9.472624
5.342427
6.414677
11.718958
9.909966
9.501171
7.121899
8.742440
9.086834
7.887809
9.760810
9.855220
6.035166
9.133583
7.882940
6.029745
8.528413
9.049341
7.868111
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11.744785
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6.971725
6.922285
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8.423917
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6.875164
8.219321
8.842387
5.893811
7.170583
5.629643
6.793008
8.097369
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5.815683
9.174673
5.299310
5.455443
9.025987
6.120136
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6.019669
6.090228
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6.494537
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6.122089
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6.920698
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6.800684
6.202521
5.207617
6.380139
8.594317
7.050325
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6.103275
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7.011872
6.328135
6.702536
5.662465
8.154485
6.419568
5.721427
6.079958
8.854823
6.619526
8.378979
6.573016
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6.833399
7.304117
6.941557
6.933134
6.421400
7.019074
7.212806
5.006317
5.929319
8.755699
8.039735
8.007508
5.622791
6.985260
7.590625
6.034547
7.701834
7.032746
8.806848
7.074496
7.069491
7.152623
8.902066
6.699606
5.531236
6.440809
4.979217
6.538102
6.297983
5.956664
7.639210
7.892758
7.669118
8.431959
8.456984
8.882534
8.770348
7.939756
5.199805
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6.221320
6.900418
6.662984
6.842677
6.607807
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5.633534
4.980560
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7.077303
6.826319
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5.067965
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6.675069
5.343486
7.222694
7.340373
7.069857
5.473128
6.184210
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5.923215
5.993652
5.271462
7.152501
6.845119
8.873867
7.460494
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6.747826
5.565661
8.657430
7.973937
6.256111
7.909482
5.463607
5.442488
5.795770
6.121830
7.308634
6.875027
8.238472
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6.599261
6.974883
5.448103
8.332957
7.709525
8.293527
5.493515
8.340037
5.060762
6.938627
6.851833
7.876278
5.785272
7.723075
5.730583
6.595111
5.708243
8.070742
6.457900
6.482681
6.036866
6.363536
7.573534
7.060213
8.697592
6.968902
6.006226
7.953673
6.697043
6.820338
6.711936
# Label of molecule (61)
0.255006
# Number of Instances of molecule (62)
4
10.423632
9.145299
9.326097
10.664739
12.183630
8.784077
11.319865
9.193106
10.324762
8.505987
8.806981
9.846528
9.584584
9.793966
12.375344
10.760193
11.273062
11.116266
11.383732
11.855974
11.905971
8.752264
10.866131
9.600026
9.930173
12.283304
10.449505
9.957441
10.808313
11.959375
11.994987
11.853168
11.786505
11.216404
11.553019
10.922607
10.023748
9.693139
9.141082
12.167798
9.742559
10.413262
12.639104
8.804082
9.018083
12.710683
11.273896
10.181660
11.341589
8.587674
12.392278
6.852971
8.042214
11.582361
6.994801
9.419436
6.285727
8.214060
8.861177
7.225366
9.268004
10.199516
8.546776
8.048996
7.608433
6.136868
6.872599
8.373437
6.346748
6.918393
8.135141
7.685048
7.978857
7.210756
7.177883
6.725125
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10.282356
6.308990
8.905215
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6.552967
8.465395
5.809743
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8.602389
11.450860
5.955540
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6.195437
9.413426
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10.120139
5.738775
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8.745724
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10.280790
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6.923942
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6.587746
9.748652
10.542617
7.287601
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8.708514
10.936183
10.594501
8.031935
10.824909
6.727345
6.831108
5.920201
8.957874
6.216425
10.955495
9.028113
7.169590
7.978219
7.516382
11.024101
5.720477
7.789861
6.639178
7.775494
11.006336
10.263240
10.668526
6.998692
9.059942
9.963035
7.052508
7.177565
7.679793
5.556276
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5.946874
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8.216472
9.537180
9.221800
6.486354
11.240346
6.947775
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10.406103
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6.818674
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6.011155
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6.679632
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8.559694
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4.933851
6.919019
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6.602847
6.620426
5.524445
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8.611698
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5.607944
6.855785
8.689459
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5.958052
8.665166
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8.231437
4.944838
8.120228
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8.867931
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5.909711
5.433744
8.094470
4.914441
5.678137
5.844279
8.280877
7.155843
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7.130085
6.895947
6.273492
8.097888
6.271538
5.013932
7.811991
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6.351009
6.617374
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7.361415
7.155354
7.577120
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7.052690
5.436918
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6.516907
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6.744942
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5.676794
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6.389950
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6.261773
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6.322932
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6.932447
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7.187338
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6.975417
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8.304804
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7.766793
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6.191061
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6.013810
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5.784433
6.622837
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6.376492
6.657262
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6.826334
6.687536
6.812906
6.561312
6.055315
6.899945
8.362270
7.419736
8.043779
7.732612
5.075549
8.050615
6.786050
6.885418
7.075610
6.418973
6.797647
7.484313
7.733222
7.815989
5.083117
6.871502
7.085009
5.614139
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7.669988
7.055589
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5.494751
5.359371
5.194327
6.583041
5.690313
4.957015
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5.746956
7.463439
5.941542
8.635105
6.638585
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5.828379
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7.479186
7.432432
6.495636
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7.736763
6.279321
6.698035
8.687963
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5.974990
5.715217
8.479949
6.977828
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5.427732
8.039750
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8.907575
8.173544
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8.168905
5.899670
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7.864696
7.562319
7.941725
8.921613
8.436491
6.928388
5.540651
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6.914350
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6.682409
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6.378323
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6.329615
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6.552522
4.971786
8.435881
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5.928358
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6.078387
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7.792306
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5.294305
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6.146382
7.186209
6.753945
6.736732
8.250206
7.799997
5.512207
6.975265
8.456389
# Label of molecule (62)
0.293688
# Number of Instances of molecule (63)
5
10.567090
9.205643
9.443983
10.437451
12.378280
8.964043
11.373942
9.218008
10.350142
8.566167
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12.353046
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11.345273
11.789186
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10.687903
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12.541698
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10.979024
11.690168
12.204070
12.100387
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11.333358
11.570919
10.939175
10.211587
9.761012
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10.494694
12.263610
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6.750471
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10.590149
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9.593752
10.900470
7.692497
5.839244
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8.455296
9.519329
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6.818734
8.863269
9.287813
8.980130
7.626503
6.585287
6.666434
7.399742
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7.522806
6.632621
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10.241789
8.504592
6.395455
7.785273
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9.178233
6.388050
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7.117303
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8.604978
9.249465
6.986125
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9.112935
7.160348
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7.806203
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6.869144
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6.392714
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11.708987
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6.205145
6.643757
5.495651
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8.502396
4.970183
# Label of molecule (63)
0.300036
# Number of Instances of molecule (64)
5
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7.682684
8.761086
8.567721
9.016343
5.778695
8.117389
5.506592
6.451079
9.066759
7.050462
7.478942
6.742225
9.185659
6.352443
6.902020
7.937696
8.586154
9.158681
7.696844
6.496979
8.771950
5.542970
7.416684
5.538453
8.533906
6.261742
8.554781
7.673528
6.050798
6.020524
7.907300
7.799875
8.733375
6.639439
6.865764
7.232963
8.683691
8.493011
7.514710
8.546724
7.648503
8.596164
9.407590
8.500946
9.338984
5.716437
7.899121
8.429655
6.992477
6.882855
8.906476
7.464904
8.051958
7.667791
8.974349
5.971938
7.837352
8.619358
7.521668
8.258889
8.184912
6.159948
6.267251
6.759575
7.873867
6.062777
7.325632
9.335215
7.067446
6.315348
8.312845
6.839290
7.354442
6.607959
6.980895
6.608448
5.745506
7.904019
8.822993
7.658773
8.372173
5.852077
8.189673
8.655263
8.490219
9.408094
9.398816
7.031312
7.662557
6.043733
5.710837
5.630757
8.997559
8.916746
8.047700
9.248177
9.316172
7.374706
9.327280
7.442457
7.123722
8.172948
8.291971
6.000153
9.262825
8.775750
6.703055
7.420728
9.118656
6.120151
7.778283
6.800470
7.256050
6.214881
5.745018
7.491165
7.360546
5.949980
6.387616
6.905454
6.357952
8.493515
8.460433
8.846797
7.590899
7.647908
5.843776
8.737297
7.922697
6.543138
8.317118
8.119236
7.647908
6.040681
8.823603
8.805292
6.081088
8.222877
7.102725
7.051088
7.701498
6.343669
5.565325
6.128086
5.725730
6.615528
7.284371
7.667684
7.987518
9.207038
7.979339
8.155736
7.994476
5.825343
7.867397
8.948973
6.042024
9.262703
7.256294
6.191076
7.255196
8.274392
7.755211
9.001343
9.435926
7.171819
6.977111
8.311991
7.590167
7.498978
8.608631
8.729362
8.009003
7.170843
7.722129
5.792749
6.780206
6.447554
9.205084
9.008057
5.604266
8.119236
7.180853
9.027100
7.789758
9.277108
7.298044
9.354381
7.303171
8.045259
7.760704
8.948363
5.750023
6.649342
8.976562
8.099338
6.158605
6.194006
7.696982
7.952971
6.444746
6.528977
5.524308
8.059664
9.430677
6.573656
7.661824
8.321146
8.293558
6.479537
5.779443
7.710166
8.319559
7.002258
8.873898
6.139561
7.836512
7.460402
7.993622
5.854640
7.201483
5.654805
6.707572
6.722953
8.718986
# Label of molecule (64)
0.242110
# Number of Instances of molecule (65)
5
10.325708
8.743935
9.513904
10.865368
12.606001
9.083167
11.535992
8.976202
10.263002
8.974746
8.684888
10.050439
9.492337
9.615035
12.231642
10.421879
11.296147
11.366096
11.862099
11.806177
11.546437
9.030612
10.696965
9.717198
9.887132
12.302800
10.516056
9.950192
10.733142
11.481536
12.302835
12.140056
12.019616
10.871456
11.455589
10.480377
7.444299
9.406873
7.479205
10.099583
10.338083
10.304420
12.538780
7.350829
8.689819
9.619161
8.582426
8.528936
11.715333
10.801986
11.799204
7.306254
8.497439
8.659480
8.124795
8.990562
7.951152
9.811060
7.546374
8.389565
8.789999
11.238231
7.227854
5.982112
8.151848
7.190284
6.959230
8.653775
6.947873
9.042476
9.149285
9.454949
7.680822
8.468196
7.228034
8.061433
6.496134
8.327172
7.567217
7.676984
7.492241
5.749164
7.251894
6.107438
8.989438
6.033947
10.840263
6.413906
9.961223
8.461829
10.323102
9.549319
8.582489
6.456734
8.903346
9.396727
10.177071
7.548563
9.471863
9.160495
5.625053
7.871575
7.165688
9.865325
7.965633
7.036155
5.496081
6.353343
7.802616
6.591283
9.979943
7.333893
7.430465
10.790311
8.554976
6.987186
7.662139
9.113735
11.195251
11.642452
7.030130
7.728779
8.250931
6.331501
6.589249
8.192738
8.425682
6.760295
8.762795
9.342353
10.552422
7.270822
6.660805
6.744242
5.852738
11.375470
7.077152
9.982791
8.644847
10.120641
10.841635
6.595033
8.277069
8.814381
6.689256
7.792727
6.446800
6.969285
10.275325
7.496404
6.518342
7.737344
5.103114
10.927959
9.122112
9.413436
9.925459
8.004679
7.996629
5.705187
7.020447
6.530353
9.244021
6.863198
9.018434
6.902072
8.996612
8.308237
7.689566
7.919797
5.770684
6.726035
8.031739
6.443800
7.563463
6.168889
8.555803
7.425275
8.411878
9.037751
8.054933
6.023865
6.109195
8.411145
7.131932
7.529771
7.747551
8.425794
8.909818
7.052339
9.064364
5.367473
5.233558
7.857906
6.469558
6.848720
6.241401
6.730552
6.627644
8.446669
5.175329
8.731223
8.468276
5.176916
8.311777
7.730461
6.502029
5.179479
5.881161
7.089816
6.316843
6.988983
5.858455
8.865993
5.127598
7.766717
6.492752
5.914121
8.256600
7.868770
5.455123
5.264687
6.417310
7.124851
5.479659
5.147496
8.680197
6.202704
6.369945
6.040590
7.990234
8.434095
7.248756
6.117130
6.116642
7.476180
8.925199
5.465011
6.906095
8.184332
8.252937
5.456343
8.715598
6.070498
6.356639
7.639027
8.900540
8.722678
6.600665
6.526933
7.231666
8.560076
8.173589
8.664937
5.118198
6.299753
7.166234
8.340098
7.509018
6.508744
7.016816
8.318491
8.348766
8.617206
6.197699
7.978881
6.465041
6.767296
9.019684
7.220801
8.759056
5.873714
7.427717
8.520402
7.575793
7.269753
7.665761
5.510056
5.129673
7.313211
5.681448
8.456801
7.859493
6.330638
5.149571
7.013276
7.588000
7.270119
5.987243
8.618061
8.361339
5.441572
5.235633
8.918485
7.842891
8.717551
6.185369
8.592914
8.137577
5.568773
5.617359
8.945952
8.919462
8.313364
7.037324
8.651753
5.740165
8.948881
5.776666
6.021180
6.392529
6.947600
5.835505
5.167638
8.201422
6.386547
6.343577
6.445875
5.122227
5.788873
5.512253
7.539048
7.517319
6.051332
7.955321
7.569933
7.487411
7.831904
7.249855
8.610492
8.633076
7.774407
4.959197
8.782434
6.427747
8.434523
8.765709
6.684225
6.394787
4.928312
5.979980
6.248787
8.877529
8.337474
5.032929
7.147862
7.429121
5.312235
5.730949
8.823084
5.024628
8.874722
7.971374
8.601520
7.818415
8.216620
5.010834
8.270943
5.143040
6.896878
8.164617
6.491470
5.627064
5.811151
7.809381
8.418409
5.302835
5.311014
5.566881
5.910031
5.583361
6.845485
6.541643
7.698294
4.979949
8.502152
6.487808
8.892666
6.438368
6.820338
6.782250
7.197546
8.165716
7.254799
8.075747
7.214026
7.825495
7.660085
7.499924
8.203314
7.975280
5.175634
6.303232
8.685751
8.619953
6.883938
8.792077
7.250771
6.758324
6.615253
7.450850
4.952849
8.797693
8.278756
7.118198
8.669149
7.707694
6.089236
7.091342
8.791101
6.795312
6.069704
6.035768
6.629170
5.968627
7.200720
8.574786
8.902676
8.369579
6.593524
6.433363
8.689901
7.248573
7.062288
5.012055
6.214728
6.955962
7.469039
8.265450
8.844935
5.926145
6.217414
8.760094
7.674856
7.528733
6.269906
7.787042
6.070437
6.661031
8.063051
8.405225
5.548936
5.959838
6.696310
6.287484
8.371044
5.502915
7.770318
5.248512
6.217292
7.879208
6.246712
6.325571
6.326914
6.500870
6.707907
5.290017
8.471877
7.032746
5.389630
7.463301
8.141423
5.813105
8.362621
6.712302
7.313395
7.142735
6.236091
5.500229
8.186468
7.315714
7.762017
6.865749
7.247475
7.267006
8.710776
7.208411
5.050752
5.712882
6.396008
8.752647
5.082492
6.658101
8.223945
8.566607
5.086520
5.145482
8.638874
7.011139
6.225837
5.122654
6.844264
8.493851
7.455367
5.300882
7.670827
5.400494
6.480483
5.918714
6.510163
6.856120
8.734230
5.618534
7.176687
7.760567
8.332606
5.178213
8.505707
5.251701
6.719520
8.450896
8.632420
6.718909
6.338649
7.254448
8.149129
6.304224
7.590640
4.758278
7.454039
7.207205
6.239647
6.174215
8.311487
6.980392
4.971175
7.626286
4.997665
7.693915
7.470397
8.077227
8.408048
6.840129
5.400510
7.182302
8.499725
6.857707
6.654820
5.950087
6.445463
7.146046
7.255425
5.080920
5.873547
8.447478
7.277764
5.861339
6.568514
5.472533
5.171499
8.488006
6.007218
5.640873
6.856609
8.695288
8.107135
5.815683
7.966018
7.564638
8.559420
4.904279
5.613529
7.386288
8.123127
8.202231
6.058977
8.452483
7.256523
5.352290
8.647191
7.653752
5.457030
5.798837
8.395474
5.756966
6.689978
5.606449
5.604251
8.235923
6.275414
5.522217
4.866924
6.532624
8.613010
6.155171
7.852123
8.624241
7.116749
8.147420
6.234275
5.767098
7.736763
7.212821
7.149709
8.298547
7.439634
7.917920
5.548097
5.365352
5.028062
6.079363
7.820383
5.460082
7.668645
7.654851
5.071886
8.634251
6.506378
5.999649
8.422941
7.267388
8.741432
5.366451
8.703467
6.266747
7.539613
8.522431
4.924299
7.569521
5.155751
8.357387
7.896191
5.826670
6.642003
5.360347
7.370785
8.140706
7.516785
6.837809
5.082018
8.732765
4.770608
5.748787
6.059954
7.415098
6.582797
7.033128
6.592807
6.742958
6.122456
7.305597
7.213187
8.720923
6.813150
7.793405
5.082018
5.938978
8.430876
6.390164
6.146626
8.014481
5.414670
8.702490
7.446715
6.210959
6.762612
7.963210
5.943739
5.115101
4.888531
5.687384
8.249596
8.241050
6.815226
6.558016
7.195975
6.246361
8.759133
8.106891
7.831614
5.196402
5.947890
7.354183
8.830790
7.584414
4.897687
6.792154
6.423612
7.399350
8.085650
5.435789
6.577181
7.432920
5.874401
8.381191
7.079272
5.630863
7.029221
6.417508
7.582827
5.185904
5.132801
8.570284
4.986190
6.247948
5.275384
8.447966
5.524415
7.127369
5.391232
7.269463
6.946699
8.864360
8.619846
6.445097
6.154195
7.040819
5.064928
8.588107
5.674566
8.710425
7.327815
7.830393
6.346828
6.318751
6.187765
8.318323
7.592471
6.493072
6.807047
7.763009
6.646764
5.571902
7.834056
4.919782
6.127827
5.754280
7.779244
7.874096
5.314325
7.738716
5.040635
6.004288
8.510956
5.730964
7.951735
6.501740
5.873424
8.694189
5.228507
6.319361
8.070879
5.714362
5.189688
8.424772
6.157735
7.360286
6.125019
5.233512
6.032731
4.909040
6.187887
6.097064
8.858013
7.314631
7.185476
7.720161
6.814615
5.792734
8.642674
8.382534
5.568728
5.899548
6.514679
8.841899
6.824137
4.975326
4.923200
8.788919
6.335231
6.832438
7.289972
5.735115
8.755959
7.558657
7.244682
5.202383
6.700110
8.314295
5.681524
5.094592
5.387570
4.995224
6.338649
7.122120
8.250694
6.639317
8.275842
6.157247
4.877422
8.448576
7.626164
6.394070
8.665502
7.304498
6.996139
7.187185
5.561159
5.651128
4.888775
7.446104
5.261101
7.618839
7.525330
7.459166
8.248253
5.265740
7.440855
5.021714
8.039506
6.812540
7.227348
8.744362
6.019181
8.742897
8.801492
5.415036
6.234031
7.646794
6.569124
8.293054
7.522767
5.681280
4.865703
7.204642
8.357509
5.522828
6.042497
7.320612
5.771737
# Label of molecule (65)
0.248316
# Number of Instances of molecule (66)
5
10.321462
9.226717
9.301760
10.531989
12.089579
8.831748
11.083847
9.087206
10.573433
8.538222
8.480005
9.756498
9.596826
9.644731
12.414711
10.307042
11.445791
11.135175
11.399315
11.939495
11.740884
8.803082
11.277296
9.865052
9.890938
12.388443
10.689493
9.132749
10.406331
12.016110
12.488947
10.726523
11.179723
11.289180
9.685762
9.636890
7.400361
9.445215
7.197926
11.593658
9.310715
9.433209
12.210786
8.864766
7.597672
9.520655
7.296117
6.400338
7.645190
9.447236
8.226129
6.797436
7.948380
10.753091
5.810794
8.536261
7.516850
10.639824
8.218157
5.262044
8.920108
9.618958
9.240578
5.686666
6.779693
8.205986
7.410629
6.343206
9.329876
6.880348
10.376777
6.502918
6.541257
8.400076
6.213031
7.553493
7.365355
9.670339
6.427894
7.809937
7.660259
6.331542
7.481332
5.686032
6.730644
5.985943
11.289639
5.135652
8.423079
7.735579
9.790289
7.586023
10.256058
8.335605
9.355175
9.551943
9.831115
6.781772
8.782389
9.590180
5.327658
5.716282
7.648898
9.835017
7.249401
5.710551
6.017091
7.482878
7.530348
7.931533
9.367626
10.262193
7.376598
10.684620
6.124514
7.168731
7.855707
11.077957
8.282499
9.804133
8.244689
9.006991
7.281972
7.014554
7.460787
8.188237
8.315430
8.916875
8.375058
8.504966
10.755413
7.368165
8.597769
5.313852
7.079138
9.623833
10.029746
9.988268
8.792462
9.530166
10.542941
7.273405
7.050973
7.798300
5.288135
6.833594
6.966748
7.582951
10.043826
7.537629
7.027476
7.981437
7.780230
9.735857
8.627895
8.086819
9.265402
8.498617
9.376944
8.257688
6.257074
8.571355
10.237795
6.846013
8.744450
8.443693
5.878063
6.017838
6.405911
7.801340
6.313868
8.027421
5.881603
8.523896
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8.040605
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6.870769
8.165487
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8.167440
6.170919
7.872875
8.552705
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8.008377
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5.551271
8.928816
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5.592898
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8.139851
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6.136937
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6.747185
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8.928892
8.071444
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7.161504
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5.186834
5.871426
6.379254
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6.908933
8.475753
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8.330119
9.040712
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5.689413
6.626209
7.304575
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8.213538
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5.253121
6.693838
7.649190
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5.886685
6.269021
5.156316
7.662984
6.309183
6.713492
7.711081
8.526048
8.861019
6.931761
8.671316
6.329325
6.142430
5.882900
8.939879
6.821894
5.589801
8.579394
5.161443
7.686056
7.886624
8.204260
6.692862
5.540727
6.586535
8.219642
7.721335
6.124973
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6.343120
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6.535142
6.971679
8.265908
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6.076022
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8.352016
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8.539399
8.392056
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8.490570
4.995346
7.264092
8.516694
6.519929
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5.214713
5.232780
5.597781
6.388943
7.213065
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5.786752
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5.235710
5.305048
8.667577
7.114795
8.694189
8.415250
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5.711432
6.179220
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6.340602
7.579043
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5.867687
6.700354
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4.942244
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7.323420
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6.589755
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5.322504
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7.612857
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6.000504
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6.750771
6.871746
6.061907
6.145283
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6.990402
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8.223716
5.218986
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6.813272
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7.169729
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6.532868
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7.250175
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6.245994
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7.626774
5.924451
8.747536
6.649449
8.138752
8.440153
8.172323
8.417692
7.966262
# Label of molecule (66)
0.190164
# Number of Instances of molecule (67)
3
10.421354
8.783204
9.350888
10.459353
12.490481
8.720709
11.283277
9.021026
10.066819
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8.270230
12.462164
7.614544
6.586442
11.801940
9.588353
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10.935858
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7.164042
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10.802185
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6.369252
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9.164312
6.329752
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5.273202
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7.449416
9.068972
6.489059
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7.566851
6.794122
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6.611255
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6.245766
6.609302
9.132817
8.363628
6.842341
5.998321
5.469375
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7.308420
5.805567
5.722068
6.572680
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6.348796
8.642323
5.515397
5.851344
7.271065
7.084048
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6.527879
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9.151128
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5.717673
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6.362712
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5.875637
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6.475997
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6.799371
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8.165731
5.012192
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7.695379
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6.633946
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5.596683
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6.956832
6.142109
6.863567
8.167196
5.934584
5.555544
4.838969
7.126514
7.604801
6.972945
4.764138
6.192038
4.767434
8.330775
5.666021
7.365291
6.873577
5.746712
8.306604
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6.879437
4.963485
5.706183
5.496216
6.906415
6.501495
8.159139
7.314753
5.580813
5.899060
8.614841
6.785440
7.927686
8.413297
8.302942
6.987472
8.694189
7.556215
8.475555
7.531678
5.978042
6.842936
8.140217
7.805246
8.036576
6.124897
5.661260
7.738105
6.148213
7.883984
8.103717
8.469207
8.405972
4.863018
6.192648
5.284661
7.313776
8.407926
6.766762
7.205741
8.064165
6.893353
8.597629
7.599551
6.369167
5.612308
5.451903
8.187948
6.721839
5.499878
6.270653
4.830912
5.962294
8.067583
8.340663
5.457274
5.022813
7.925489
5.332636
8.519501
5.728889
8.263146
6.082659
8.346278
7.528504
8.668065
5.989639
7.769478
5.026963
8.654637
6.905560
8.399136
5.201773
8.278161
7.392758
6.921186
5.170888
5.211295
7.223563
7.794992
5.392087
5.655156
7.997024
4.722633
7.165944
8.462249
5.747444
5.268670
5.319330
7.844554
5.421140
7.001389
4.942854
6.043352
5.093982
7.533509
5.058580
5.334590
7.807199
4.836406
6.091937
6.744667
4.894635
6.202292
8.024003
4.853374
8.678808
6.230125
# Label of molecule (67)
0.230644
# Number of Instances of molecule (68)
5
10.223287
9.223681
9.415157
10.775334
12.622959
9.046090
11.537924
8.918742
10.215296
8.933258
8.754668
9.634181
9.693448
9.624545
12.338516
10.371656
11.414162
10.720167
11.831885
11.373847
12.158233
9.049555
11.139776
9.849739
9.787886
12.283326
10.789882
10.071786
10.760326
11.471471
12.358318
11.861247
12.099330
8.373506
8.662638
8.699598
10.064715
7.583237
7.822805
11.897120
8.051791
7.560266
12.318660
7.321975
6.996493
9.920549
9.621306
10.122415
8.724697
11.694089
9.916734
7.936858
7.374142
10.106319
7.670606
9.238425
7.905924
11.306873
8.324010
6.390571
6.275387
10.608381
7.465517
6.053213
9.959780
7.670147
8.113814
7.213855
8.166039
7.265165
10.744847
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6.436842
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8.358654
5.434980
# Label of molecule (68)
0.226170
# Number of Instances of molecule (69)
4
10.586123
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5.257225
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8.166128
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6.691107
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6.953078
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8.569460
4.769662
5.338649
7.728492
6.649113
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7.759011
5.844279
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7.152303
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6.711737
4.803110
4.994400
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6.681829
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4.917127
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6.848704
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5.370144
5.219871
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5.694861
4.991470
7.229942
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8.043321
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5.524567
7.556856
8.339351
6.415464
6.207938
8.666509
6.317560
6.129322
6.299493
# Label of molecule (69)
0.202570
# Number of Instances of molecule (70)
4
10.711148
8.993037
9.727320
10.584374
12.185711
9.105747
11.446527
9.282753
9.973793
8.933179
8.162201
10.057169
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9.177400
10.170673
7.916454
10.693039
10.218633
7.381868
10.687830
8.246458
6.432580
9.694954
6.714893
6.434421
11.251456
8.017298
9.034986
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8.302849
8.112646
9.600639
9.405075
9.466369
8.399944
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6.146576
6.420102
6.348801
8.495541
8.338344
6.619085
9.888371
6.991446
5.491614
9.829563
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8.558623
9.770184
10.083281
11.532095
5.584708
8.592134
9.951642
7.292492
7.534336
6.429226
11.737769
8.709134
7.332085
7.377792
10.649004
8.324485
5.138607
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8.214521
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7.817502
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10.783262
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6.255213
6.732159
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10.196986
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7.137173
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10.100610
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10.152646
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6.506180
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8.671896
7.066500
7.191382
5.364177
8.477432
6.499466
5.504563
# Label of molecule (70)
0.114252
# Number of Instances of molecule (71)
4
10.208965
9.184080
9.457796
10.669496
12.056725
8.952857
11.294646
9.373552
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5.115329
6.072024
5.840205
6.544206
7.821467
5.366192
8.309885
5.313700
8.776208
7.265786
5.682730
6.343638
8.362743
7.503220
6.050539
8.085635
8.386547
6.633808
6.421033
8.773766
5.802973
7.640431
7.910581
5.696646
7.718925
8.342845
8.648030
8.964080
6.042360
7.487228
7.764336
7.637623
8.156560
5.390484
7.844050
8.106510
5.990356
6.013916
5.210547
6.578387
7.865291
5.341166
7.425092
7.564135
7.487472
8.936857
7.368938
6.227790
6.465712
7.559008
5.288797
6.480850
8.727134
5.701651
8.177068
8.692343
7.204993
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6.890774
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5.969115
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5.335551
8.628254
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6.327525
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5.862911
7.138585
5.750969
6.383190
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5.933348
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8.130802
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6.557634
8.731040
6.520646
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6.069094
8.962493
7.777032
5.907468
6.885037
7.039827
6.953764
8.912809
5.422956
6.704855
7.898373
7.433882
7.107700
7.134922
7.770684
6.220588
7.620533
5.389630
8.992523
8.035585
6.266488
7.631520
7.500046
5.527085
7.333293
7.493942
8.177923
7.687674
7.316446
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8.346019
8.273141
7.888852
5.222877
8.177801
5.558092
8.485183
6.609149
8.922208
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6.379772
5.431867
5.805048
8.804773
6.132328
8.656331
8.486526
7.911924
6.273446
8.047670
4.968291
6.938444
6.533647
7.751213
5.379070
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6.904141
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6.595660
4.941191
8.024171
6.456008
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8.818384
7.435774
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6.127140
7.768792
7.314188
6.399731
6.953337
8.832911
5.321818
6.404981
7.305887
8.300790
8.307871
8.113285
4.941801
6.749107
6.549394
5.903134
6.625446
7.288797
5.985656
5.710501
5.435713
6.397778
8.319346
6.295602
8.129887
8.716575
6.858852
8.408582
7.435408
7.177465
7.980102
8.228034
8.147710
7.846675
6.078310
5.449019
5.906064
8.851222
5.887997
6.393872
7.526475
8.767113
8.045045
8.520890
7.761589
5.843806
7.765740
6.707358
7.367412
7.438704
6.518509
7.681143
7.348613
7.038789
6.562212
4.974517
8.259285
8.241829
8.226814
8.777856
5.431806
5.074740
7.811640
7.065401
5.012970
6.022523
7.975219
8.370983
7.677358
7.142796
6.492996
6.585772
4.896268
5.640919
7.256447
6.155217
6.637532
7.282815
7.389874
8.049440
5.367718
7.016572
8.359386
6.881314
7.235694
8.181158
4.948881
7.549303
7.310892
7.676016
7.978637
7.777703
7.749870
8.466445
6.640095
6.930265
7.769280
6.799768
6.324046
7.473128
8.297250
7.507675
7.815546
5.460128
8.180303
6.769005
7.730216
8.417859
6.819178
7.709952
6.069033
5.002350
6.109928
8.212653
8.765038
8.806055
6.564776
6.312082
7.095676
8.687033
6.486892
6.553423
5.839900
7.997070
7.075900
8.683615
6.050600
5.083285
8.337168
6.055971
6.319407
5.438032
6.671102
7.120457
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5.871639
7.017792
7.373150
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5.084994
8.430189
5.143468
6.325877
5.014435
7.952513
8.592303
4.867092
5.325480
# Label of molecule (71)
0.098255
# Number of Instances of molecule (72)
3
10.371302
8.829923
9.420846
10.782693
12.451686
8.939964
11.361455
9.393544
10.330041
8.657210
8.543855
10.125040
7.932662
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10.092182
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10.945583
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10.407812
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10.232180
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10.233443
9.053289
8.164787
8.412979
6.256018
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7.544701
7.897754
8.399409
6.302651
5.682114
10.027565
8.265875
7.666074
7.534441
9.631994
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4.940409
5.992000
9.135746
7.876718
8.303581
7.156476
7.971024
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5.553349
9.075464
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11.497637
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7.448540
5.899737
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10.094339
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6.898159
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10.018675
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7.886282
11.015729
8.307075
8.399331
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7.350040
11.246635
9.716798
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6.912443
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5.767327
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7.020783
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8.005799
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5.984741
5.219703
4.989837
8.257271
8.872280
6.570086
7.553148
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6.900174
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6.427137
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8.409864
6.395642
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5.782708
6.046022
7.272500
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6.025025
5.566759
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7.293374
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5.953246
5.495224
7.491379
6.604511
8.180486
5.221290
5.723014
7.345012
7.835627
5.471053
8.566729
7.732353
5.994751
6.299326
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8.230781
6.896390
7.269082
5.801630
6.069094
6.012696
8.525101
8.936857
6.732566
8.895352
6.172124
7.955748
5.446638
7.168493
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7.126743
8.527909
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5.270608
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6.889065
6.141240
8.692099
5.191137
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5.516465
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6.317759
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8.376293
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5.071017
7.809503
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7.666311
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7.301798
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6.841090
5.051607
6.554949
8.320383
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6.067385
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5.349712
6.312143
6.954863
5.774651
7.583422
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6.746605
5.303201
6.594989
6.633686
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6.159062
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8.244209
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5.123020
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6.894436
8.122990
6.866115
6.092898
8.598712
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6.742393
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7.559679
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6.629231
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6.373974
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6.077334
7.607044
5.887997
9.551317
9.255409
6.782311
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9.484420
6.935392
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9.316080
8.164922
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7.807489
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7.346294
8.611103
6.410840
7.027314
7.689688
9.515427
5.777398
6.208930
5.861385
5.710623
8.767113
7.357524
8.309580
7.460799
9.016877
9.150426
6.595904
8.666158
7.502304
8.088992
9.156896
9.087680
6.217231
7.781365
6.369579
6.781945
6.844935
8.372936
7.797479
6.122745
8.296396
8.501724
8.490249
8.782128
6.991546
6.150822
7.214331
9.048738
5.757134
6.775231
9.487472
8.856838
7.216529
9.076693
6.292550
5.900204
9.547533
8.801660
9.347575
6.209296
8.481216
6.938688
5.803278
6.561235
7.419416
6.688070
9.247841
6.103214
7.543077
9.581347
5.888485
8.561419
7.788446
7.121799
8.790796
6.409009
6.565630
6.326853
7.044893
8.373424
7.093356
9.540941
6.738609
5.650807
6.227485
6.897794
6.608600
6.209784
8.655049
5.807184
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8.553606
6.331736
7.838374
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8.319712
9.036042
9.377850
9.602344
9.089755
5.915220
8.436048
5.905820
6.785485
7.899899
5.976623
7.450179
7.026093
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8.144292
5.867855
8.820338
9.371014
5.766655
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5.970885
8.994171
9.503830
6.163030
7.564318
6.893155
9.021882
5.935484
8.920682
8.717063
6.564409
6.089785
# Label of molecule (72)
0.102824
# Number of Instances of molecule (73)
3
10.435599
9.019449
9.340129
10.682835
12.625041
8.808975
11.207927
9.417241
10.233054
7.716866
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12.549625
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11.060499
10.228086
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11.600011
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6.615327
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9.675489
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5.455337
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6.176447
8.989520
7.264429
11.503597
6.321420
6.322993
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6.576831
8.694119
5.667982
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11.109675
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7.886411
10.045768
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8.614902
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8.421415
7.871471
9.074389
7.078600
8.010147
6.365810
6.618259
5.993606
8.565096
9.049608
8.630284
9.217704
6.956038
9.214408
6.440886
7.330317
8.784951
6.823954
6.904523
7.903088
7.583254
6.213095
5.810129
8.614780
8.781899
6.090655
6.504364
6.361293
8.829997
8.722816
9.099780
8.231468
5.836619
9.170949
5.643986
8.224754
8.112323
7.458983
6.625950
7.587527
8.981491
8.545808
6.191244
6.640477
6.246300
8.976608
7.445189
5.972854
6.671728
7.090075
7.214957
8.880413
5.869945
7.654180
5.649968
6.918806
7.958266
5.807199
8.031266
8.450346
7.364742
9.178640
8.167013
8.057634
9.158742
7.063585
8.750649
8.699133
6.277673
5.528871
8.052751
6.482269
6.029862
9.322443
8.325343
5.928419
8.243309
5.461486
7.291131
# Label of molecule (73)
0.110461
# Number of Instances of molecule (74)
4
10.357693
8.893110
9.265627
10.384619
12.076676
9.229993
11.440426
9.101669
10.157759
6.942725
8.255461
9.531702
8.097569
9.086093
9.351394
9.171151
8.673424
9.226121
10.232565
9.718175
10.342659
8.690007
8.129688
7.877225
9.426027
10.239507
10.393247
8.003410
8.725183
9.295970
11.917375
10.009251
10.050488
10.407484
10.129294
8.173748
7.639547
6.432801
6.279555
8.643634
9.162323
8.040451
9.371285
6.625151
7.503682
9.305384
10.301317
9.172764
10.928549
10.531128
10.246516
7.658073
7.510433
8.668521
5.945890
9.058585
6.978240
11.011681
7.844480
7.119581
8.215914
9.692319
8.870783
7.074044
6.704739
7.794206
8.320043
7.302560
9.534460
8.085942
11.333003
8.932126
7.617279
8.806733
5.259787
7.349102
9.159480
7.703196
7.064758
9.448857
9.322471
8.765429
8.182703
6.992340
7.909509
7.801844
9.812438
6.214842
8.576069
6.376947
7.423088
9.007661
8.968133
6.588465
7.709988
11.406309
7.702100
6.542058
7.448404
8.976112
8.123370
6.474218
7.259651
9.846928
7.421992
5.456493
6.167348
5.997812
8.603870
6.541968
7.883863
9.126320
7.059644
11.384153
7.973447
9.158712
9.780847
8.560171
10.149370
11.076703
8.724772
6.324872
6.232466
6.308919
7.730944
8.659017
10.441662
9.657807
6.809073
8.495793
9.933156
5.393213
8.115889
7.202887
5.927524
8.534252
9.619780
11.505063
8.298573
10.390483
8.942400
7.892761
9.336004
7.072296
7.514007
9.198520
6.319622
6.497884
7.406906
9.148778
8.193721
9.399640
6.511859
9.905173
8.738010
10.690513
9.249783
6.999150
8.042447
8.267320
8.532076
5.842772
9.932658
5.855937
8.589722
8.621464
8.799692
7.812845
5.227805
8.724372
9.083636
8.567507
5.472930
8.188101
7.571993
6.062548
6.566591
6.899609
5.946089
7.915632
7.184652
6.433164
7.313807
7.697607
6.280450
8.234855
8.824595
7.189535
7.383999
7.391324
6.744331
8.882580
7.298181
5.829142
7.368252
8.594363
5.569002
5.817667
7.142415
8.078234
9.104755
6.652654
7.372768
5.498810
8.317255
5.393216
6.894238
7.650975
7.163167
8.530396
6.076464
5.794595
7.457732
7.458098
5.539583
6.982742
5.836589
8.626347
8.957411
6.755928
7.742775
7.246666
5.319117
7.079546
8.809702
7.428800
8.030137
5.398221
8.020005
5.621616
6.220756
6.681707
7.010819
8.233879
5.642857
8.338618
7.904035
8.308832
6.527039
5.872356
8.033921
8.129994
7.774514
9.154195
7.948592
8.630741
8.861827
5.187521
7.060259
8.482910
6.830393
5.241844
7.318201
5.741615
7.737037
8.225578
7.280480
8.918958
5.940718
6.178274
6.959792
6.361873
6.599918
7.755348
5.816324
8.810678
8.756355
5.577914
6.275445
6.011765
8.379391
7.327235
9.142720
8.260369
6.746040
8.453978
5.293115
5.746742
7.533174
6.381649
6.008957
8.584475
7.993515
6.076220
8.339839
8.390866
7.594821
8.858409
5.861858
8.298578
7.493622
6.331721
5.211814
6.271538
8.220328
7.305872
6.766549
6.600894
6.950270
7.583346
5.848308
8.454588
5.735267
6.491272
8.828379
6.357723
8.072375
8.029283
8.502319
7.477264
7.181600
6.509095
9.115619
8.586673
7.371303
6.562807
5.412015
5.583895
5.863933
5.391140
6.080370
6.441588
8.457396
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6.698431
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8.322626
6.628239
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8.557497
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7.558931
4.977065
7.692969
8.805063
8.140980
8.468383
7.879009
7.479705
8.707526
6.961013
8.898206
8.312006
8.725471
6.457823
6.168508
7.577364
8.533692
6.453917
5.144307
5.025163
7.082720
8.818979
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5.272240
6.135426
6.921216
5.145650
8.626347
6.303644
8.870251
5.435331
8.214713
6.295831
6.749458
6.297418
8.292230
6.750313
5.718421
5.308618
8.604495
6.029832
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6.097705
5.679724
5.352077
7.618992
8.785165
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6.631046
5.797891
7.069781
7.410367
8.403806
6.833934
8.340083
5.184835
7.219077
8.382687
7.183309
5.053972
5.861248
5.992355
8.668462
8.636845
7.785745
5.775918
7.776955
6.613834
7.139363
7.949324
5.357692
7.027299
5.742592
5.111957
6.979812
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6.407773
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8.323847
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6.602603
6.633366
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8.465941
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6.146413
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7.600436
6.954909
8.520631
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5.438627
5.251610
8.363033
6.420469
6.902051
8.318476
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5.616367
7.848491
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5.045305
8.187490
6.142872
8.025376
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8.393551
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6.332087
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6.187063
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5.367946
7.349452
5.661290
4.994278
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5.006973
7.080889
8.192984
6.857494
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8.351436
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6.341945
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6.879437
5.789560
7.524232
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6.347560
6.569857
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6.207053
6.829997
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8.173421
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7.487732
5.581790
7.911939
6.615879
6.330958
6.289331
6.529084
6.332911
8.871807
7.182546
6.989303
7.156789
9.236442
5.912366
6.948653
6.703406
8.942488
7.800241
7.824290
8.200400
5.980117
7.975906
7.106494
8.745705
8.324305
8.351894
7.788034
9.340693
8.749367
8.807962
8.785501
9.071398
7.825388
5.962905
6.227683
7.813181
5.968398
6.905927
9.487060
7.833201
7.420835
7.264458
5.826182
6.667638
9.034776
8.983383
5.539918
7.646062
8.737892
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9.461180
8.439909
6.551546
9.517335
6.710486
6.009171
9.040147
9.270379
8.564058
6.322901
6.063372
7.794382
6.310816
9.227775
6.711219
7.435362
6.980270
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7.289972
6.458647
6.809244
7.835276
6.240501
9.305536
8.328211
6.014664
6.860637
7.557802
8.938826
9.515137
6.706336
8.991806
6.858318
9.045518
6.548738
6.090106
8.307337
5.521973
5.760506
9.391720
5.813120
7.474914
9.006333
9.051500
7.506653
6.604892
7.113453
5.986221
7.285821
7.862987
8.997787
7.982131
7.721381
8.427946
7.517762
8.136799
5.580081
5.958510
8.134968
9.013779
7.839427
6.492828
7.252861
5.881970
8.069903
8.371670
9.111316
8.416349
7.060106
8.560518
8.109699
6.234397
7.557802
7.744575
9.436033
5.644414
7.004440
8.572848
6.874432
6.978072
6.135395
7.424497
6.668615
5.885144
9.324213
6.075091
8.313684
7.964431
6.542024
7.635075
7.153493
8.104083
8.811258
7.137257
5.657842
7.909742
7.024339
# Label of molecule (74)
0.103447
# Number of Instances of molecule (75)
5
10.700106
9.079339
9.398981
10.683398
12.338140
9.107368
9.521339
9.159349
9.316937
6.700183
8.049291
7.485231
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10.024826
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11.287572
10.740886
6.003275
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10.803991
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10.894356
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8.866690
8.997330
7.762478
7.763790
10.827531
8.415905
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11.214362
5.872237
6.012426
9.163920
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6.229611
10.252750
10.271595
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7.271974
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9.948087
6.785363
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7.096104
11.801153
7.429576
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9.363149
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6.510469
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7.431220
6.018615
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8.752460
9.681060
6.822636
7.395803
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6.149042
7.383055
7.796633
8.061382
5.964187
6.842527
9.256139
8.718886
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6.634515
5.805911
6.959547
10.315080
5.008225
8.278112
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8.388301
10.468371
11.500960
5.848699
10.436425
9.586086
8.227377
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9.347065
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6.829763
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6.384263
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8.254821
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9.572684
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9.524275
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10.004628
6.823358
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9.216303
7.822590
7.849000
10.252028
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10.579359
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4.931135
6.695471
6.381375
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6.093646
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6.413114
6.673254
5.695563
8.214927
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6.124531
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5.364742
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4.952010
6.968917
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8.694189
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4.942000
6.659093
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4.834330
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7.441465
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7.303278
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7.866771
4.911969
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6.171529
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7.226005
4.879864
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7.522767
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8.409391
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8.346644
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7.249001
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5.229286
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7.382427
6.762291
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6.361400
8.254158
5.394940
6.912076
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5.009919
8.088137
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7.260964
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6.394726
5.702445
6.084658
8.664937
5.319254
5.223060
5.966124
7.841548
6.042909
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6.392773
7.414289
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5.347697
4.926420
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8.064943
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5.203894
5.213416
7.438704
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8.586444
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4.855495
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6.827113
6.149846
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7.923093
5.000641
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8.586444
5.035310
5.423994
7.542467
5.146153
7.846431
7.733024
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7.756096
5.368694
7.870113
6.760338
8.128178
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5.763237
8.175787
6.975921
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7.997803
6.644368
5.790948
7.017670
6.430616
7.225196
6.365429
7.242409
5.361980
8.703391
6.162542
6.662557
5.755181
7.147069
8.610981
5.638234
8.608905
5.647267
5.893704
8.388653
8.869259
8.995361
8.437605
7.325510
6.646657
9.170415
5.889065
7.093448
8.071017
8.068087
6.962828
6.856746
6.193152
6.192419
7.093936
8.724113
7.531449
7.020447
6.476608
6.202429
6.872127
6.484054
6.845393
7.550371
5.999054
6.787896
8.872677
6.404462
9.229011
5.938505
6.058626
6.054353
6.624683
8.358501
8.989257
5.740745
5.765526
7.962493
7.835292
7.352489
6.945128
9.068972
6.969176
6.896664
6.674856
8.522446
7.573809
9.117313
8.367779
8.402203
8.118748
5.637226
9.075076
6.691824
6.578173
6.999207
9.155034
7.284249
6.267006
8.979125
5.743797
8.698355
9.167730
7.548784
8.908689
8.880734
6.625660
6.861995
5.353038
5.469497
7.285958
6.638234
8.554308
8.893674
8.147923
5.320933
8.203223
7.681478
8.610706
5.383435
5.825587
7.358592
5.387829
9.158452
5.457045
6.303751
8.162694
7.565996
6.248573
5.941923
5.860500
6.115268
5.875149
6.648000
7.415357
6.554369
5.626118
6.736869
6.900449
8.543687
6.048982
7.913663
8.904294
5.726951
8.022797
8.560778
8.021332
8.578112
8.136570
8.235206
6.336344
8.392926
7.247871
8.752068
6.775567
6.807917
9.095584
7.229072
6.199255
9.214606
7.841517
6.467086
6.113315
6.448897
5.418714
6.040803
8.870846
7.128971
5.557634
7.476882
9.242439
9.015259
5.367809
8.891232
9.228278
7.770104
7.349315
6.464034
5.987091
7.490921
8.708121
6.123936
8.757805
7.390698
6.852351
6.819758
6.647755
9.002686
5.942289
6.751885
7.163884
6.283731
7.370312
5.940580
7.360302
6.990661
9.045534
8.504501
5.478530
7.704917
8.358379
6.025300
6.955260
6.881161
8.110965
5.733940
6.848109
5.811823
6.757530
8.698019
8.466567
8.103153
7.196631
5.436811
5.171667
8.614032
8.685812
5.974670
6.264595
4.971343
4.846706
6.927580
8.586444
6.258614
7.251198
8.566301
5.741264
6.481887
8.497818
8.530045
7.998535
6.122135
6.657552
8.561052
5.748100
5.148595
6.960540
8.639912
7.388287
4.867702
6.600299
4.892361
8.515030
5.983215
6.529862
5.646413
7.293924
8.242195
8.125858
6.011048
6.884732
7.041719
6.593829
7.354717
7.796503
8.372204
6.991180
6.056581
7.047212
5.470992
6.743004
5.906796
7.003388
6.562212
6.523148
6.529374
6.773888
5.056917
5.380047
6.204291
7.033540
5.590503
5.977599
7.462508
5.152013
5.269692
5.829279
7.829829
7.501694
7.506577
8.399182
8.093875
7.819697
7.812006
5.945372
8.469253
6.501907
4.927396
7.980346
5.037263
7.698965
8.664937
7.223365
4.832911
5.093173
5.835139
4.920682
7.955687
5.231117
7.635487
7.407697
7.078585
7.283303
7.873531
7.787225
8.731590
8.111209
7.403058
8.601825
6.732017
7.512558
6.144353
7.372051
8.139775
6.521683
6.066591
4.877102
6.109806
5.639210
6.505325
6.053285
8.019166
7.867428
7.191382
5.383221
5.241005
5.423383
8.365978
6.654012
4.944243
7.009613
7.355815
4.956328
6.289010
8.511368
4.985260
4.801172
5.397504
8.000610
5.198401
6.228950
7.473006
7.919553
5.267983
4.785424
6.440992
5.317789
7.964599
5.239662
6.490432
5.020051
5.061800
6.920255
5.887753
8.598651
7.553453
8.542131
5.438765
6.024232
7.954344
6.401685
5.974792
6.873989
6.064882
5.814142
5.236976
5.966613
7.569445
7.667348
6.534013
# Label of molecule (75)
0.094362
# Number of Instances of molecule (76)
5
10.649031
8.765480
9.464521
10.628488
12.204816
8.859486
11.239308
9.483474
10.461413
8.665140
8.050900
9.163298
8.886996
7.824916
10.333588
8.397805
10.783305
8.895405
9.376964
8.625359
9.481101
5.458925
10.184222
8.335460
6.745853
10.633278
7.400505
9.309637
9.560457
10.480505
8.587786
9.305614
9.412391
8.842978
7.628234
7.951075
9.306702
9.144691
5.828435
10.979828
6.558303
8.510822
8.853955
7.885668
6.270871
8.290006
7.208631
7.978399
9.580527
9.283236
8.214778
5.376318
6.435012
7.626178
5.561090
7.340984
5.583926
11.621986
7.557005
6.332217
6.488095
7.994971
7.859842
5.567879
7.656151
5.705239
9.363777
8.375906
7.443841
7.831684
8.556873
7.160551
8.349659
8.420718
6.371843
6.241782
7.715258
9.772436
6.172789
7.248650
8.458429
8.676503
6.740785
5.573066
6.541833
6.552013
11.055698
5.239632
9.231930
7.256184
8.345106
9.705950
11.355788
6.383024
8.723763
8.080413
9.532324
8.510247
10.380884
8.753597
8.087991
7.401919
7.884667
10.555802
8.989623
7.754371
5.530866
7.836700
10.844454
5.496920
7.645939
10.381597
8.057444
8.339691
8.595246
6.150550
10.496328
11.050856
10.473274
10.924947
8.734201
7.072756
7.595383
6.678779
7.436281
10.735068
9.463772
8.456872
5.958704
8.685370
8.627768
6.608496
6.724992
6.290697
6.206166
8.020644
9.914929
8.467335
7.604539
7.799326
9.931726
7.834880
9.779182
8.217541
6.966001
9.683351
9.002922
5.511338
9.124866
8.211489
9.141210
8.116429
6.141843
8.986395
7.772878
10.005288
8.109785
8.225725
8.184518
7.878841
5.917260
7.813744
9.723313
7.726349
7.948068
6.190467
5.774667
6.346828
7.977248
7.036302
6.809122
5.855602
5.919202
6.838298
6.916181
7.489441
5.966323
5.681524
7.372982
7.167287
5.977554
5.070910
7.374447
7.901929
7.517029
8.498383
6.815470
8.365322
5.787606
7.613590
5.222404
7.634465
7.153249
7.263604
5.207999
6.991745
5.619999
5.272332
6.823771
7.654607
7.654485
8.839702
5.186514
5.310663
8.712134
7.430845
5.754158
8.331751
6.852214
8.033891
5.622562
8.542940
8.813944
8.659642
7.223807
7.421323
5.927259
7.957717
8.795267
6.599887
7.236015
6.825846
5.998795
5.549684
7.206229
7.885937
5.063097
7.318659
7.395688
8.702368
5.823740
7.198050
5.458739
6.616733
7.036912
5.195547
6.863811
7.076830
8.342738
5.186758
8.694189
5.330317
5.249992
5.621464
6.912275
5.362056
7.521546
8.660375
8.458464
5.948622
5.331172
8.615452
7.560610
5.704352
5.570070
6.570956
7.630802
4.994858
6.676550
8.059038
8.122272
8.593234
6.363552
6.663610
5.721320
6.952437
6.620762
6.431303
5.252434
7.970901
6.364284
5.959853
5.666875
5.124500
6.109638
5.042833
8.494476
5.841563
7.044237
8.742897
6.128803
5.993912
8.871807
5.770150
5.326533
6.381130
8.806497
8.041093
7.289239
5.081530
6.089984
8.290002
7.709052
5.545778
6.407010
6.612827
6.148091
6.306543
6.573885
6.813639
8.130940
8.182211
5.876598
5.431272
5.320307
8.845439
8.431364
6.321558
5.156850
8.636204
6.943159
7.668035
7.332331
5.490844
8.240196
6.297754
6.474395
6.862957
6.953047
6.177511
6.418851
8.512299
7.720771
7.963820
5.440184
8.035600
6.292993
6.482330
5.820322
7.014328
5.906995
5.013413
7.305963
5.249748
8.572848
7.789865
8.812723
5.840831
7.865062
8.152425
6.738319
8.303308
5.830699
7.705390
8.628147
7.299982
8.313318
5.025132
5.623417
8.067095
6.625401
5.521729
8.354213
7.901074
7.968459
8.406827
8.728980
8.577120
5.187368
5.278924
7.999588
8.570406
5.237541
6.202170
5.472655
5.958632
5.736824
7.149709
8.246300
8.878277
6.978439
6.691321
8.343837
8.410611
8.780740
5.797983
7.621769
6.773232
7.546327
6.637608
8.825663
7.690130
6.909223
8.239097
5.170156
5.816904
5.340815
6.897748
6.816691
6.096576
6.093280
7.198660
8.624973
5.918104
8.853130
7.531312
5.552858
6.956587
8.480926
5.972182
8.080279
5.566774
8.212363
6.409574
8.029740
8.607639
8.694189
6.784585
7.162893
7.569399
8.232627
5.325556
6.923383
5.882946
7.626164
6.648961
7.704413
8.282067
6.960250
7.602725
8.013627
7.095874
7.737739
8.726661
7.912671
6.346095
7.720283
7.204886
7.104541
6.523835
5.854869
5.186026
6.043962
6.921430
8.663305
5.345210
8.447356
8.393277
7.464782
7.562685
5.574709
5.421873
5.812387
6.595859
8.661962
6.363552
6.513337
8.617771
5.873669
6.748573
5.610599
6.497345
6.158467
6.511383
6.701697
7.697943
6.373318
8.025224
6.966720
6.667394
8.059893
5.815806
8.283532
7.595035
8.242027
8.831767
8.802957
5.411374
6.622959
6.141621
8.361171
6.904828
5.555666
8.939192
7.101489
7.830515
5.161000
7.724555
6.683264
7.886547
5.970229
5.543580
5.451292
7.432066
5.465209
6.154805
8.941389
7.822703
8.892804
6.001358
7.095752
7.238212
8.726661
8.862774
7.566591
5.877697
5.153676
8.062212
6.137791
7.281503
8.206458
5.638020
6.358623
7.784204
6.469588
6.465926
6.095920
7.613422
8.803034
8.251381
6.840693
6.049165
6.196265
6.312235
8.702567
6.892453
5.967254
6.865352
8.911557
8.375286
8.164830
6.291482
7.967315
6.749626
9.058657
6.767693
7.813501
6.432234
7.090335
8.142247
8.408856
7.577410
8.659963
5.925382
7.072268
7.956084
9.123112
7.274422
6.977050
6.013520
6.375103
6.843867
7.167486
5.982757
6.395123
6.379009
8.474776
7.926176
6.126194
7.926542
7.705588
7.583148
9.067446
8.536912
6.479843
8.897275
6.949950
6.334086
7.091311
6.097140
6.876583
5.828211
5.766930
6.207984
5.294504
8.344157
7.699606
8.867855
8.181799
7.442763
6.229102
6.322489
6.816889
7.210089
6.547349
8.476363
8.511765
7.287729
8.300455
7.872219
7.678976
8.520920
7.465712
5.475784
8.611255
7.098514
7.876736
8.140660
5.345164
7.060427
6.771355
6.626209
5.988250
7.047243
8.738701
9.047548
6.879269
7.166631
8.438887
6.627918
7.961333
7.852565
8.472701
6.632923
6.740593
6.591052
8.772393
5.357006
6.205298
8.388958
5.893399
8.042268
6.081393
7.858425
6.577502
8.599292
8.799127
6.795770
5.965423
8.010041
5.544145
9.125431
6.833125
8.284097
5.772301
9.087100
6.225196
8.844783
7.557390
6.540391
5.863369
6.219703
8.152135
5.260811
8.702445
7.912626
8.133457
8.103305
6.009491
5.326975
8.510056
8.908261
5.342601
8.622730
6.164769
7.024049
7.801782
8.374187
7.009033
8.322916
8.928892
6.910764
6.221534
6.582507
7.631123
8.210486
6.950072
9.110904
5.503006
5.223701
6.847530
8.487960
8.921323
5.501663
8.674657
6.390286
6.743690
9.123768
7.186697
6.349391
8.221030
8.332118
9.497925
9.061144
6.521027
9.363765
6.660070
9.482421
8.379971
8.635350
7.710150
6.508942
7.813181
7.746773
6.280663
8.806009
6.004410
8.542817
8.609470
9.069689
6.029191
9.292596
7.321833
7.593081
5.789804
5.860729
7.362362
8.011917
6.536897
7.746651
8.449065
6.104389
8.350673
8.864238
6.426176
6.522004
5.959365
6.940474
5.891491
8.323084
8.267785
7.405454
6.470367
6.188009
6.971969
5.649663
7.114673
8.188314
5.635014
7.523865
6.798990
8.984481
6.599033
5.954726
5.991348
7.330378
7.106861
5.555177
7.271905
6.756020
6.011124
9.099475
7.474425
8.305261
8.444060
5.741218
7.727241
6.202902
5.821665
6.850139
5.767464
7.327937
6.561434
9.338618
8.903058
9.364376
6.883587
8.356288
7.998367
6.507965
9.074694
7.228202
6.858928
5.603153
8.586642
6.508209
7.389218
5.583010
9.346797
8.025590
8.898297
7.090625
8.654027
7.798044
5.929823
9.153920
7.035203
5.688726
6.990036
7.790475
8.439177
5.677862
6.548982
9.418088
6.138936
6.628819
8.690649
5.942885
7.722968
9.419919
6.786050
8.404874
6.544832
8.318934
5.565554
6.049821
9.010483
8.475311
5.963271
7.709540
9.075060
9.403439
7.111621
8.358486
7.327326
8.333949
5.857433
5.727424
6.033464
7.307184
8.178426
5.845958
9.517701
5.883557
8.871685
6.389065
9.253166
7.345882
5.890881
8.704321
7.039842
8.269494
5.707648
7.393368
7.642277
7.334040
6.070330
8.323450
6.263939
7.253227
8.537202
7.942946
6.232078
5.695563
7.156911
8.777200
8.268883
9.073107
5.673956
7.978347
# Label of molecule (76)
0.097073
# Number of Instances of molecule (77)
3
10.733578
9.172043
9.517448
10.835622
12.479313
9.240761
11.305811
9.282398
10.098016
8.716447
8.752499
9.939146
9.665579
7.269768
10.096054
9.698578
7.456580
8.139941
8.575807
10.329731
7.556232
6.343987
7.458614
6.498008
5.952921
10.119583
9.319310
7.208547
9.243336
10.867400
7.969384
8.997007
9.061927
7.651706
10.866479
9.301979
6.859652
7.207319
7.655088
8.293841
8.884605
9.156763
11.030018
7.337800
7.409167
9.397922
7.954827
6.569401
8.048039
8.923009
11.146518
6.868594
7.022047
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8.056450
10.193283
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7.848827
7.114795
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5.865856
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7.650578
7.458922
9.010239
6.015519
6.135762
7.556825
7.503235
5.436399
7.333796
8.847758
6.990280
6.636021
7.656316
8.119343
6.020768
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7.243583
5.686041
5.551393
6.621860
8.027421
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6.000015
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5.993912
6.848430
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6.653478
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8.756081
8.686132
7.930006
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6.716224
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7.228690
5.999039
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6.212058
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6.969283
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9.258354
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6.600558
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8.238670
8.846965
8.944136
6.359584
5.873486
7.561892
6.615452
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5.884960
5.915723
7.656377
6.686987
6.187216
8.510285
8.146382
5.454649
6.974471
7.482421
6.236900
6.236045
6.521088
8.986984
7.932020
8.668615
8.912152
8.013565
5.485778
6.830058
8.576937
6.916486
8.293481
6.514130
6.504608
7.028428
8.147725
8.527985
7.012558
8.736854
6.738990
8.389187
5.945265
5.395077
7.271599
8.796426
7.177480
6.445769
6.073077
7.247429
6.297693
7.127918
6.069903
7.181753
6.345790
8.147969
8.006119
7.020737
8.480621
6.683935
9.278375
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7.752083
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6.014237
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6.961165
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8.137471
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5.417295
7.351070
5.884960
5.678777
5.695624
8.738929
8.108417
9.229545
7.052721
5.353816
5.760079
7.756600
7.940077
8.406156
8.348048
8.210959
9.146290
7.618534
5.700140
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7.886242
7.215690
6.097247
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6.445647
8.375881
6.647069
7.601810
6.254479
7.516236
5.776193
6.163533
8.265282
5.791574
5.713813
5.619083
6.511078
7.177236
6.843242
8.421049
7.719123
8.513703
5.794504
8.839885
7.851939
6.886456
7.155141
7.653081
6.456023
7.718390
8.673009
5.482482
5.687445
6.946028
5.825632
7.155141
6.894147
6.658177
7.632817
7.462401
7.626713
5.569887
5.585269
6.692724
7.954726
7.707892
# Label of molecule (77)
0.110234
# Number of Instances of molecule (78)
4
10.556686
9.065313
9.276878
10.391065
12.080731
8.770156
11.402456
7.800378
7.643839
7.128536
6.425679
7.380678
9.198807
7.245901
9.696918
9.695811
11.445675
8.769408
8.942076
9.652762
9.794118
6.857609
10.675244
7.381313
8.379240
11.259699
8.220549
10.069271
10.313804
12.001034
12.607192
9.928468
9.288708
10.196967
8.160562
9.929442
6.081723
8.258034
6.605956
10.911855
7.352988
8.065714
10.112061
5.790181
8.436771
8.267536
7.537131
7.356455
10.103008
9.071182
10.211858
6.417991
7.676233
8.668291
8.751525
8.559156
5.483615
10.434458
8.983339
6.563581
8.493537
8.252333
8.812784
7.685971
7.118728
6.399477
8.442628
8.687064
7.910097
7.410693
11.312791
8.059255
6.522502
8.156597
7.207138
5.369526
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10.396411
7.140940
7.127737
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8.783551
8.005703
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5.836306
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11.309451
6.052848
7.079487
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10.370145
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6.443030
7.499941
5.743200
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10.319684
6.633786
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6.508719
8.798450
11.394565
7.685685
11.361399
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7.171741
6.078338
8.714326
7.321953
10.255287
7.446119
7.783257
6.404418
9.577479
7.343664
6.463609
8.551512
5.910273
7.847012
9.975268
9.153894
8.646498
7.366191
8.244618
8.302504
6.859675
7.465371
9.131154
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8.347972
7.785520
11.779979
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7.215781
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5.405545
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6.682562
7.992904
5.833537
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7.550752
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7.421354
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5.524445
6.913892
6.912305
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7.496673
8.422605
6.028367
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7.275719
5.556551
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6.422300
6.321100
9.005264
5.545076
8.657353
8.467162
5.984420
8.109729
8.373165
7.465300
8.567019
7.569552
8.449950
6.691961
6.743355
8.100574
6.250664
7.199179
5.904462
9.105121
8.672246
8.447386
5.871502
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7.124104
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5.314600
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6.041551
7.338221
6.714301
9.137104
7.207846
5.268822
6.574770
7.042436
6.363338
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7.378384
5.244041
8.170522
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6.590640
8.083605
8.492920
5.485260
7.594089
5.840373
9.121357
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6.675726
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6.944288
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6.522279
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6.687811
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6.601016
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6.467833
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8.089953
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5.106479
8.789087
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7.142430
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5.356731
5.221717
6.980316
8.529191
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6.650349
5.383099
6.852504
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6.506180
5.416425
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8.738548
8.576312
6.132633
8.451552
7.852290
7.896115
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6.278268
5.165075
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6.759117
7.752190
8.129643
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5.575854
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5.067171
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6.463698
7.543321
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4.945219
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7.347270
8.107303
6.448927
6.690634
8.683004
8.803491
5.838191
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5.016633
5.631886
7.506211
6.125797
4.943022
7.028413
5.400555
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7.425520
7.017426
6.073550
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7.220679
5.528123
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7.031709
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5.470870
7.164525
5.121982
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6.850551
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6.571856
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5.344157
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5.436445
8.896023
6.253487
6.515213
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6.440260
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6.925504
8.034913
4.938505
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8.568133
5.841853
7.744133
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6.914884
4.968902
7.801874
7.506699
7.321879
5.220496
7.769524
6.540849
5.705985
7.452498
# Label of molecule (78)
0.103679
# Number of Instances of molecule (79)
4
10.317505
8.757350
9.301869
10.707785
12.629096
7.913753
11.351315
7.522115
8.467717
6.962550
6.564255
7.236091
7.917360
8.466375
11.298823
9.557727
9.171856
9.856306
11.633767
11.095486
8.829761
6.427688
10.850704
8.559137
9.741893
10.476426
9.349725
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8.271660
9.555694
11.940052
10.721740
10.888414
8.970286
9.802854
7.935771
6.621546
6.320253
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11.229646
6.881682
7.302656
10.950597
5.327327
6.710404
10.869707
9.189551
6.091135
9.490082
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5.940403
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9.009853
8.108113
6.748877
7.667037
11.190366
7.577872
7.223126
7.534828
8.607551
8.826085
6.745189
7.001831
7.726619
7.163645
8.462734
8.713577
8.549552
11.076040
6.544020
8.788001
8.469228
5.791668
7.822799
8.158576
8.016594
7.615894
7.546626
10.570339
5.558042
8.758389
6.293546
6.196417
6.041713
11.148230
6.335875
8.245798
6.683959
8.099848
7.616210
9.858156
6.784730
7.908198
10.681561
9.436148
6.444874
8.610722
8.590605
5.397741
5.668836
5.589464
10.167932
8.426755
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6.087700
10.839696
7.460486
9.121111
8.567398
8.541170
8.111262
6.559149
7.482090
9.078889
10.381701
8.538056
8.854865
6.792523
9.162434
6.177496
7.272559
7.990725
8.451728
7.754246
8.233030
5.959298
6.373015
10.755066
7.073788
9.372152
5.306828
6.554542
8.991876
8.008702
10.498979
7.411186
11.063755
10.833522
8.882411
9.208668
6.692019
6.197129
10.164782
6.010411
8.208991
10.839711
9.589223
6.440935
7.916316
7.879607
8.927497
9.477385
10.263032
8.133050
7.429140
8.291850
7.513614
7.426874
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10.330887
6.401926
9.850289
6.982925
8.314051
5.592532
7.631291
6.686193
8.871319
7.156178
8.555269
7.836985
8.878765
8.025712
7.765084
7.853465
6.163961
6.424467
8.762062
8.423917
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6.420682
5.460204
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5.533937
6.170797
5.995865
8.388272
4.998520
7.687078
6.588778
7.529603
5.445311
6.502716
6.335719
6.644200
7.009568
5.610965
7.807321
8.315882
7.502503
8.052690
6.324732
6.970504
7.230888
8.526826
8.791726
5.764168
5.059191
6.399930
4.954939
8.307703
7.588565
8.489105
7.971023
8.600925
7.328303
7.992630
7.151296
8.554659
7.734565
7.944655
5.762337
6.471831
6.990890
7.568789
6.756264
5.865734
6.406278
7.904004
7.304865
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7.305353
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5.014267
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6.285913
5.613773
8.694189
8.277795
8.717750
8.110187
8.556001
7.856151
6.359890
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6.023453
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6.882366
6.792642
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6.018326
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5.349849
8.402066
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6.599399
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5.653935
8.068560
7.722480
6.766030
5.237053
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7.956374
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5.100452
6.210959
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6.509552
6.715003
6.093158
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8.589938
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6.462798
7.758370
6.703406
5.326289
8.205283
7.803293
6.584017
8.018021
7.231742
5.322871
6.852580
7.578921
7.130177
8.149373
5.007553
7.094287
7.838206
5.060289
5.875256
5.351802
8.714942
5.853038
5.896619
7.332698
6.385769
7.722114
8.624729
8.696020
5.737190
6.818033
8.808329
8.129231
8.432585
7.859935
8.436247
7.442442
5.328242
6.677892
6.117817
5.277947
5.162832
6.560213
7.174001
8.313074
5.894055
6.020539
5.249886
7.868740
8.967895
7.719077
7.727500
8.862545
7.991058
6.644459
7.266305
5.763695
6.499557
7.109806
8.169286
8.773431
7.875820
7.484207
7.497269
8.532212
6.691214
5.723655
8.171728
5.600360
6.274697
5.519181
7.351878
8.742912
7.990936
6.936705
6.459029
8.892941
5.605243
7.424146
7.225288
5.671285
8.109714
9.061647
8.139866
5.335704
8.384136
5.927396
5.669942
7.033631
9.068972
7.457717
6.628834
8.235206
7.023865
7.671468
8.068331
6.221473
7.747032
8.139866
7.068789
6.501999
7.130192
8.571276
8.803949
7.036195
7.925626
8.888424
7.252266
5.136235
8.298196
8.674184
6.933775
7.923063
5.837794
7.857875
8.043794
5.212165
6.409711
6.519578
7.360424
5.705588
5.213630
7.686728
5.301279
7.361644
5.430189
8.997681
7.503006
6.820490
5.827906
7.106998
7.298532
6.759209
6.705496
8.709098
5.469741
6.051424
5.546525
8.052950
5.646504
7.606403
7.758507
8.824335
5.730125
8.763543
7.873867
6.270913
7.715415
5.115726
6.586352
7.443190
6.285806
8.638050
6.998962
5.428846
6.556810
6.995422
7.457228
5.453871
7.343333
8.906247
6.343181
6.725517
8.325053
6.433760
8.206885
5.892727
5.485488
7.084414
6.606494
5.999420
5.199469
6.583422
9.036378
8.803461
5.343760
7.207465
7.314524
6.338908
5.806299
8.545518
6.807672
5.595843
8.769524
7.564287
5.865505
6.190954
7.140446
6.854427
6.841975
8.906613
5.506241
7.930876
6.077181
6.971129
7.987030
8.462264
8.215308
5.957427
5.361705
8.306009
8.233497
8.172460
7.843837
7.222602
6.556200
7.414991
7.879238
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8.631581
5.974761
7.342967
7.724433
5.484130
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6.146748
5.505737
6.671422
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8.258507
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5.163320
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6.472808
6.630406
8.661351
8.587374
5.958632
8.736671
6.904706
7.865673
5.861583
5.528565
8.092608
5.312250
7.790353
5.313837
7.645940
6.941328
7.700873
6.329005
5.807993
6.527375
7.554140
8.681249
5.453124
6.151509
5.122059
8.468474
7.483947
5.615116
6.317774
6.954878
7.187063
8.595553
6.422514
5.675909
8.926984
7.418516
8.588107
8.348231
6.549471
6.324488
5.986343
8.457976
6.871136
5.099963
7.982742
7.406064
7.630680
6.952437
8.707617
6.081317
7.274590
8.501801
6.402005
6.739296
5.955702
7.764351
7.910962
8.059526
7.116138
8.004105
6.700720
6.259056
7.031785
5.325800
8.774270
5.134877
5.692755
5.885388
6.860271
7.911084
6.394925
8.592868
5.250359
5.765145
5.416257
7.181570
7.660466
7.910230
7.156545
7.520936
6.489044
8.106159
6.110004
6.044939
5.851085
8.474822
7.051073
5.174184
8.758400
7.496765
8.805521
7.604190
8.824320
5.060656
6.981857
5.335566
8.867046
7.443785
9.040025
5.322993
6.785928
5.096179
5.068957
7.614933
7.086230
6.105731
7.652898
5.860485
6.427885
6.216208
8.195639
6.059587
7.571596
6.277001
7.082812
5.429441
6.099628
5.996109
5.054674
7.263359
8.284509
8.873150
5.164174
5.656621
8.480438
7.187063
8.696509
7.975417
8.414640
5.914075
6.424467
8.941389
6.750771
6.449614
8.574923
8.210166
5.301508
9.009873
6.880657
5.315546
8.264611
6.588412
8.094317
7.856883
8.856548
5.343257
8.336634
6.802774
7.721015
8.286706
7.657048
6.788247
5.484375
# Label of molecule (79)
0.098154
# Number of Instances of molecule (80)
3
10.652564
9.217191
9.831610
10.325574
12.288133
8.715116
11.351490
8.954285
10.358423
7.412788
8.015239
8.708682
7.512294
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12.274124
8.878476
10.554672
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8.630531
10.094497
10.700285
5.337146
10.097920
6.485464
7.035734
11.494018
9.188045
6.620425
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8.115120
9.579582
9.114521
11.059568
10.571069
7.324390
9.439824
6.389957
7.656894
6.235215
9.458843
8.519736
6.973502
10.001066
5.375988
7.908115
9.886705
7.766852
6.423331
9.278390
9.169009
10.149668
7.334722
7.058104
8.632633
7.089106
9.867049
6.258977
9.403399
8.071381
5.324693
6.432108
8.074784
6.647869
6.681607
7.367448
5.680625
7.588159
6.928973
6.732359
8.210160
10.550410
9.515504
6.488886
8.481407
6.648603
7.875175
7.436088
8.415506
5.772788
8.431525
10.506540
6.496917
5.869962
6.500947
7.765283
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5.318962
7.659466
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8.414515
8.136156
6.153506
10.721908
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8.840527
6.959384
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8.881712
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6.301150
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9.492786
8.318370
6.997973
8.305340
7.942575
10.984650
8.323009
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7.959377
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8.354546
8.571143
6.176096
10.842436
10.328324
9.498236
8.216880
6.480309
7.539084
5.991969
8.864169
7.949026
9.659088
7.207666
8.200802
5.801294
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10.149910
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7.025345
6.197274
8.736922
11.476602
6.866158
10.905502
6.402715
9.569824
8.536980
7.893071
7.542792
7.617579
5.091095
9.457718
8.539566
7.569904
8.164382
10.286753
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8.091669
6.852025
9.960442
8.302102
8.424352
7.863151
10.235228
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6.809721
8.079293
7.897199
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7.447877
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6.554750
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6.671087
7.847392
4.734504
8.235954
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4.919202
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6.177053
6.371761
6.682684
4.948134
5.260765
7.137654
7.392300
8.358638
6.445616
7.976669
6.235771
6.336116
5.897992
8.025498
5.859172
6.926588
8.332514
5.278100
7.852886
6.348201
6.388485
5.870159
5.030656
6.631779
5.655553
5.043718
6.794992
7.627659
7.721046
8.666021
4.961806
5.255638
5.617222
6.177908
5.422758
5.871624
8.041734
7.848003
5.017594
8.626347
6.725898
5.204978
6.992630
5.691198
7.326868
7.526337
6.420103
8.227531
6.218192
5.254662
6.953688
7.970443
5.553743
5.220969
8.295038
6.307917
4.980239
8.546022
5.745033
4.725105
6.373226
8.096423
5.218650
8.491333
5.970626
8.371578
7.092364
5.463652
6.281304
4.694464
6.265191
7.884625
6.140919
8.582278
5.804605
7.044755
5.291162
8.171010
7.553194
4.688482
5.858440
6.571352
5.071429
7.037797
7.104816
7.028153
6.292169
5.306299
7.828104
7.759133
7.259606
8.582278
4.785165
7.349818
8.330317
4.953017
5.513825
7.576754
6.209769
4.746467
7.927961
6.535951
5.200339
5.765297
5.060808
4.951308
5.034074
6.387631
7.333094
6.536927
8.667608
6.410459
4.717292
7.289880
7.412076
5.510529
5.177511
6.587344
6.775338
7.196127
7.756569
6.963576
6.388241
6.127613
6.686346
7.441130
5.393338
6.679022
4.898083
5.292505
6.668889
6.617740
5.304468
7.105670
7.263634
5.775307
6.230766
8.029893
8.418332
5.586215
5.369533
8.076037
8.547365
7.368984
6.633610
8.346431
8.556642
7.223472
6.282647
8.069567
4.872326
7.421720
4.698004
5.314356
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6.994232
7.614124
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6.472243
8.584368
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5.803888
9.116245
8.426893
7.849971
6.086123
6.148747
6.555498
6.287057
9.195593
6.620930
6.040223
9.255165
7.820673
6.036805
5.694754
5.576586
9.297037
8.107181
6.483352
7.305155
7.370220
6.185736
6.404736
9.361126
6.795007
7.824702
7.150487
8.472549
8.145146
6.319773
6.910611
8.296152
6.209540
9.124912
7.703360
7.592151
9.349528
7.006806
7.603259
6.329539
9.191076
5.819147
6.242378
6.596026
8.029176
8.767113
5.960631
7.186499
9.317301
7.039277
8.978912
8.747948
6.617878
6.683065
8.970611
8.352672
8.389904
5.595752
9.407025
8.377209
5.984802
8.508683
7.051363
6.559893
6.231758
5.837825
8.975372
8.114017
7.980834
8.278085
5.474776
6.769860
7.983642
7.012665
7.259011
7.622669
7.485336
7.416242
9.287637
6.658650
8.900906
6.124577
5.631520
7.836909
5.953795
7.347148
5.732719
8.600848
8.650533
8.295175
8.436537
6.693686
6.464431
5.603931
8.172613
7.154271
7.108005
8.621357
5.659719
6.367626
6.264229
7.438093
5.509323
8.044557
5.654347
5.536058
9.101108
8.005982
6.816980
8.928495
9.108188
6.648396
5.972716
5.666677
6.045839
5.961974
9.349773
7.590808
9.218055
5.979675
6.345286
8.195196
6.437452
5.530198
7.899045
8.487930
8.894436
6.172063
7.450545
8.716697
7.548814
8.180425
7.859127
5.837458
7.420637
5.464766
7.659291
6.599567
8.154180
8.291879
6.027284
8.123051
9.230018
8.686178
7.832636
7.844356
8.201300
9.387982
8.152104
6.702353
6.327464
7.238258
# Label of molecule (80)
0.088530
# Number of Instances of molecule (81)
3
10.389099
8.892639
9.483351
10.743414
12.517827
8.979742
11.319092
8.993908
10.245071
8.694716
6.597289
7.292790
6.944122
7.569221
9.454898
7.915580
11.534315
7.691240
8.864146
8.778850
7.652602
7.024737
7.421327
8.228434
6.012572
8.056916
7.821583
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9.801518
8.654393
11.073754
10.861405
11.281056
8.453401
9.932696
8.360784
8.719402
7.212132
7.187461
8.808077
8.876474
7.054046
8.214701
6.577158
6.285578
7.909224
9.813814
6.168124
9.445782
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11.028659
7.818408
7.457057
10.426778
8.150275
8.359779
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10.999608
8.575019
5.337391
8.466541
8.770523
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7.896514
8.427150
6.953181
8.635841
7.887043
9.426863
7.255082
7.592491
7.361146
8.472030
7.417904
5.889092
5.459327
8.714873
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5.190083
8.903761
9.402506
8.654519
8.618013
5.748725
8.934485
7.104468
8.909888
7.056787
8.851071
6.321664
8.019741
8.414173
8.298393
7.490059
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9.683737
7.690255
9.004066
9.380918
5.627560
6.939970
5.778347
8.815753
10.212987
7.635517
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7.503289
9.218504
6.385869
9.553246
7.167203
8.119898
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8.550513
7.357081
8.020509
7.684696
8.930662
10.382265
7.222764
8.668453
5.321629
7.322261
7.741615
11.873211
9.542030
7.808776
7.850293
8.582674
10.697812
5.736450
9.172058
5.701395
8.675706
9.187278
8.178777
11.541821
6.709724
7.398795
8.580630
8.951331
7.875309
6.531964
5.688739
7.406507
7.681702
7.998137
8.240395
7.728122
9.341351
7.770244
7.284671
10.622708
8.145167
8.444784
6.831834
9.089367
8.328782
7.132529
8.721231
7.258008
7.373290
7.843224
9.083394
9.169069
6.291772
9.056139
8.068926
5.451415
8.669774
5.421262
6.254173
8.682348
8.705420
8.076739
8.681738
8.690283
7.789254
5.505615
6.438261
7.723823
6.253685
9.094104
5.903088
8.746681
8.383633
7.603580
5.676275
6.968795
8.733131
7.857860
6.500763
5.529298
6.620151
7.012497
8.050249
7.700018
5.677618
7.787545
8.460417
7.988113
9.333491
6.035051
8.476897
6.513825
9.093982
6.018448
8.095172
9.034410
8.509980
8.776589
5.568117
8.992904
7.694647
8.949568
6.655553
5.964370
7.272637
5.440794
5.990371
8.877178
8.633641
9.289422
8.438322
6.380276
5.364864
6.128071
8.323206
8.736549
6.739906
8.603732
6.395779
7.612369
8.135090
8.131550
6.419095
6.142232
9.252312
5.362178
7.245903
5.640751
7.020798
8.733863
8.263268
9.338862
8.053545
8.484954
8.080523
5.517335
7.533631
7.504212
6.332179
6.415922
7.404965
8.389859
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9.287957
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6.095721
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7.980667
7.180471
5.538820
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5.541627
6.166158
7.328547
5.601199
8.485809
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7.692083
6.726966
9.052355
5.577273
6.116352
5.469970
5.422117
8.341029
7.682073
5.790414
6.312525
5.724372
5.533448
7.905469
9.224845
8.245079
8.622288
5.597293
7.277764
7.433287
6.974044
5.576418
8.002274
7.676336
8.854595
7.773507
5.471435
7.677801
6.208151
7.436705
9.142201
7.411069
6.745766
5.908704
6.782022
6.438871
9.055040
6.958663
8.857768
5.474975
7.109668
5.542116
7.759224
9.064318
8.553194
5.868419
7.234550
9.252922
9.128529
7.645573
7.411313
8.127888
7.633854
5.380123
8.778054
7.097461
7.775094
7.608219
8.502167
8.998520
8.528291
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8.478118
7.332331
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7.181814
7.193289
6.241844
5.971450
9.303705
8.950301
5.995743
5.549318
5.677740
7.347713
8.321131
6.987594
8.094195
8.284021
6.457671
7.646062
8.658666
9.278924
7.535218
9.194693
7.009079
9.301141
6.035051
6.264428
5.617801
7.963698
6.277123
6.655065
8.554659
5.960585
8.303308
5.970473
9.085925
8.621189
5.535157
5.559938
5.484497
8.456023
8.581149
8.638646
6.426542
8.571139
7.564760
7.462951
9.347041
6.823527
7.353328
8.435636
9.134022
6.594150
8.059893
8.014969
8.531465
6.052629
9.192007
6.304712
7.629582
7.790353
5.825694
7.198172
7.815378
8.694189
7.177908
7.951247
7.559023
7.939039
5.950209
7.061205
5.411618
8.970809
8.823832
9.325190
7.588809
9.358272
8.475799
8.952498
7.514832
6.385647
7.494934
5.607059
6.703284
8.264000
6.570956
6.255272
8.348354
6.832438
7.331599
7.691961
9.001816
5.629276
6.203391
8.622166
7.711249
7.203787
5.671026
6.172872
5.994766
5.544435
7.310236
5.708502
6.025285
7.501648
8.968856
6.826701
8.401944
9.075304
6.471099
6.408231
8.881695
6.445952
6.221213
5.597415
7.447691
7.623234
9.079455
5.586673
9.087756
8.584811
7.887036
7.080981
5.658818
7.784616
7.014573
6.316431
6.213889
6.902387
6.308985
6.509552
9.161855
7.710028
5.813364
5.610477
7.641057
8.930280
5.636235
7.236015
5.478149
8.963485
9.342891
7.657292
7.106738
6.355007
9.246208
5.717780
6.823038
7.881909
5.970717
8.555147
8.752419
8.128986
8.665502
8.002396
6.901044
# Label of molecule (81)
0.098994
# Number of Instances of molecule (82)
3
10.261796
8.734776
9.768959
10.822283
12.406276
9.073636
11.519214
9.146811
10.606703
8.945033
8.789600
9.897473
7.244231
8.088290
9.476671
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10.408369
8.185997
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11.377386
11.987861
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9.197182
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10.490793
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10.140646
10.902896
8.505929
9.121400
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8.441677
7.516150
6.932556
5.794740
10.712724
7.292733
8.011277
10.435089
6.635074
8.385200
9.663213
9.624471
6.241887
10.845026
9.950131
10.320781
7.445154
8.477178
7.301815
8.044772
7.966393
7.679948
9.998250
8.618981
6.833505
8.075474
9.779899
9.906362
6.201603
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5.586439
9.359189
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6.915690
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6.863172
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5.506550
7.995457
6.778851
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7.116459
9.324727
10.340711
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8.326565
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10.044298
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7.240904
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9.568556
5.876177
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7.987035
5.847223
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6.513513
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6.051764
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10.470272
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10.255645
8.549322
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10.778278
10.981764
8.209353
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6.793893
10.173904
10.004220
9.126417
7.418529
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8.327967
7.046069
8.294340
8.150675
6.152181
8.242653
9.790296
11.705525
6.861690
9.262179
8.032262
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7.695722
9.465686
8.153725
7.811594
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6.774835
8.258619
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7.481291
8.061822
5.137783
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10.082584
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6.484024
5.638661
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6.970122
6.342296
6.214362
7.077792
6.521256
5.778314
9.240699
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6.732933
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6.238899
7.878719
7.762993
7.046175
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6.968657
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8.667318
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8.108829
7.164098
6.247322
6.070070
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9.296731
5.669179
6.938017
5.633656
5.892087
7.588183
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9.099704
6.415052
7.603687
7.523850
6.962554
6.780419
8.626179
6.518571
7.733207
8.226386
9.236061
7.934507
7.057405
6.772729
5.909543
6.639790
6.204840
8.640339
8.987518
5.593860
5.485458
9.006073
6.259896
8.911832
5.472274
5.469832
6.044435
7.576098
6.903226
7.606616
5.630726
6.172857
6.137089
5.979125
8.967986
9.026582
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5.987793
7.467818
6.106571
8.179144
5.929807
7.802667
9.084689
6.186407
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8.567461
5.913450
6.191168
6.127567
5.686514
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6.458510
8.436476
8.483230
8.113224
6.469741
5.960448
7.580859
6.852443
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6.151738
8.066103
5.466536
5.491928
6.777123
8.562700
6.099124
9.236915
8.719321
5.445173
7.088656
5.414411
7.210364
7.583422
7.275918
8.530595
6.933500
8.608478
8.367382
6.689962
8.865322
7.079012
6.227180
8.727622
6.736961
6.919950
7.974914
8.049501
8.986785
8.509964
5.761589
8.559893
8.079653
6.792138
8.102603
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9.069308
6.783471
7.637013
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7.277749
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6.874050
9.059862
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8.055437
6.812967
6.400235
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6.605564
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7.499756
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6.491913
7.019883
7.363033
8.873455
6.755837
8.867840
8.782754
5.970656
7.194937
7.904553
5.367489
9.194510
7.484252
7.676153
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6.578463
5.708686
8.469878
8.993210
9.229301
7.020737
8.256005
5.784249
8.872600
6.446135
5.808542
8.447539
8.266747
6.214316
6.879864
7.492309
8.358425
5.985549
8.306421
9.068407
6.055742
6.353114
8.917524
8.368923
6.493622
7.992691
6.125446
6.120930
7.665532
6.835917
7.069689
7.535524
9.298273
7.642338
9.189627
9.094775
7.844005
8.344386
7.103748
8.548738
5.463439
5.540712
8.667882
7.499756
6.877911
5.514344
9.087085
5.946486
7.961440
7.147084
5.959304
6.164388
5.951979
9.108936
8.121601
9.296564
7.154164
7.695318
9.177541
6.031449
6.008255
5.688543
6.578463
8.741371
7.403439
6.616306
9.134816
6.455535
6.105548
6.784768
5.832102
6.046464
7.179800
7.459593
6.826395
8.999802
9.278497
7.570681
5.494812
7.146840
6.671972
7.315180
8.415311
6.732276
7.897107
7.033555
6.151082
8.193503
6.896588
7.735359
7.715949
7.024033
8.526765
5.646550
7.592044
7.100818
8.307031
7.156972
8.179464
7.844615
8.286645
8.540315
6.549287
8.593295
8.903241
6.822733
8.377224
7.559816
6.709326
6.175253
5.930372
6.752052
5.840648
6.203696
6.985824
8.228294
9.101001
# Label of molecule (82)
0.132269
# Number of Instances of molecule (83)
5
10.271718
8.890685
9.568721
10.384075
12.714863
8.763431
11.117892
9.396965
10.384180
8.633008
6.289728
10.206038
7.394195
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10.329977
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11.905320
8.716024
9.456120
10.459628
9.670948
7.657541
8.253366
8.086078
9.044433
12.135179
8.847686
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8.547954
11.212295
12.336470
10.726417
11.149774
9.615292
8.243720
8.892160
6.576759
6.049587
6.421562
8.681942
7.644050
8.355652
11.817184
5.698011
7.425835
8.536451
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8.101685
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8.251641
8.791393
4.961571
6.068165
10.282426
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7.252250
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6.825655
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7.772115
11.431605
8.679126
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6.309424
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10.162837
7.765683
6.987695
7.915286
7.604818
5.945661
6.577295
7.049212
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6.934172
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7.118114
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10.104746
6.484246
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11.142147
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7.594985
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10.457118
5.561822
11.055756
7.480887
6.639905
7.350412
9.770400
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8.734188
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5.221135
6.761087
6.344290
10.469145
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6.166976
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10.208865
11.261879
8.568758
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8.616118
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9.100908
7.857503
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9.317372
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6.813673
11.499399
8.879447
7.627377
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7.971237
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4.984527
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7.138646
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6.533158
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4.904813
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8.146977
6.342601
5.294473
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5.012970
5.193396
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7.066256
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6.329539
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8.049196
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6.750694
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8.874783
4.922391
6.393994
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4.939848
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6.932096
5.912046
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4.959380
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6.432325
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6.956511
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6.697958
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7.992386
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8.164510
7.605411
5.796030
7.738227
7.564150
7.452940
5.895032
8.947127
8.157186
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5.669546
5.811640
5.639393
5.717277
8.798791
5.821162
# Label of molecule (83)
0.124110
# Number of Instances of molecule (84)
5
10.329125
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5.226234
8.949004
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6.808435
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8.594867
5.424482
8.439100
6.509964
7.421613
7.479720
8.346324
6.200262
5.998474
8.975738
5.739067
6.960295
# Label of molecule (84)
0.110162
# Number of Instances of molecule (85)
3
10.770523
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9.291764
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12.478121
9.164325
11.392551
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10.432425
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10.254930
8.921608
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5.905576
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6.276070
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7.815867
7.7